| SpectraBase Spectrum ID |
30mSAW23fYC |
| Name |
3,5-Dichloroaniline |
| CAS Registry Number |
626-43-7 |
| Collision Energy |
15 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
160.979904565 u |
| Formula |
C6H5Cl2N |
| InChI |
InChI=1S/C6H5Cl2N/c7-4-1-5(8)3-6(9)2-4/h1-3H,9H2 |
| InChIKey |
UQRLKWGPEVNVHT-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
162.019 g/mol |
| Nominal Mass |
161 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
161.987 |
| SMILES |
NC1=CC(Cl)=CC(=C1)Cl |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
3,5-DCA |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_9.2 |
