| SpectraBase Spectrum ID |
G94ERzjVqfj |
| Name |
Neburon |
| CAS Registry Number |
555-37-3 |
| Collision Energy |
40 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
274.063968542 u |
| Formula |
C12H16Cl2N2O |
| InChI |
InChI=1S/C12H16Cl2N2O/c1-3-4-7-16(2)12(17)15-9-5-6-10(13)11(14)8-9/h5-6,8H,3-4,7H2,1-2H3,(H,15,17) |
| InChIKey |
CCGPUGMWYLICGL-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
275.179 g/mol |
| Nominal Mass |
274 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
275.071 |
| SMILES |
N(C(=O)N(CCCC)C)C1=CC(Cl)=C(Cl)C=C1 |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
1-butyl-3-(3,4-dichlorophenyl)-1-methylurea |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_618.6 |
