CID 145492
4-amino-3-bromo-5-nitrobenzotrifluoride
Structural Information
- Molecular Formula
- C7H4BrF3N2O2
- SMILES
- C1=C(C=C(C(=C1[N+](=O)[O-])N)Br)C(F)(F)F
- InChI
- InChI=1S/C7H4BrF3N2O2/c8-4-1-3(7(9,10)11)2-5(6(4)12)13(14)15/h1-2H,12H2
- InChIKey
- ZUZMWPRSGJTLHW-UHFFFAOYSA-N
- Compound name
- 2-bromo-6-nitro-4-(trifluoromethyl)aniline
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 284.94811 | 150.5 |
[M+Na]+ | 306.93005 | 162.7 |
[M-H]- | 282.93355 | 153.3 |
[M+NH4]+ | 301.97465 | 168.9 |
[M+K]+ | 322.90399 | 146.8 |
[M+H-H2O]+ | 266.93809 | 151.8 |
[M+HCOO]- | 328.93903 | 169.8 |
[M+CH3COO]- | 342.95468 | 191.7 |
[M+Na-2H]- | 304.91550 | 157.3 |
[M]+ | 283.94028 | 163.0 |
[M]- | 283.94138 | 163.0 |
Literature stripe
No literature data available for this compound.