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4-[bis(2-chloroethyl)amino]-3-fluoranyl-benzoic acid
SpectraBase Compound ID KxKgq9v69LL
InChI InChI=1S/C11H12Cl2FNO2/c12-3-5-15(6-4-13)10-2-1-8(11(16)17)7-9(10)14/h1-2,7H,3-6H2,(H,16,17)
InChIKey CHIKDFIUSJHDMS-UHFFFAOYSA-N
Mol Weight 280.13 g/mol
Molecular Formula C11H12Cl2FNO2
Exact Mass 279.022912 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9eVOOsbFIsv
Name 4-[bis(2-chloroethyl)amino]-3-fluoranyl-benzoic acid
Comments Less than 3 mono-isotopic peaks
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Formula C11H12Cl2FNO2
InChI InChI=1S/C11H12Cl2FNO2/c12-3-5-15(6-4-13)10-2-1-8(11(16)17)7-9(10)14/h1-2,7H,3-6H2,(H,16,17)
InChIKey CHIKDFIUSJHDMS-UHFFFAOYSA-N
Molecular Weight 280.126 g/mol
SMILES OC(c1cc(c(cc1)N(CCCl)CCCl)F)=O
SPLASH splash10-001i-0090000000-90856a46d923cb9226ec
Source of Spectrum E1-37-2369-24
Synonyms 4-[bis(2-chloroethyl)amino]-3-fluoro-benzoic acid
Wiley ID 1575141