CID 14468233
4-(dibromomethyl)-3-nitrobenzonitrile
Structural Information
- Molecular Formula
- C8H4Br2N2O2
- SMILES
- C1=CC(=C(C=C1C#N)[N+](=O)[O-])C(Br)Br
- InChI
- InChI=1S/C8H4Br2N2O2/c9-8(10)6-2-1-5(4-11)3-7(6)12(13)14/h1-3,8H
- InChIKey
- QSNWGGZLZYPJJC-UHFFFAOYSA-N
- Compound name
- 4-(dibromomethyl)-3-nitrobenzonitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 318.87123 | 145.5 |
[M+Na]+ | 340.85317 | 157.3 |
[M-H]- | 316.85667 | 149.3 |
[M+NH4]+ | 335.89777 | 161.2 |
[M+K]+ | 356.82711 | 138.8 |
[M+H-H2O]+ | 300.86121 | 148.9 |
[M+HCOO]- | 362.86215 | 162.9 |
[M+CH3COO]- | 376.87780 | 210.8 |
[M+Na-2H]- | 338.83862 | 151.6 |
[M]+ | 317.86340 | 171.5 |
[M]- | 317.86450 | 171.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.