CID 45051060
5-bromo-2-fluoro-n-(2-methyl-6-nitrophenyl)benzamide
Structural Information
- Molecular Formula
- C14H10BrFN2O3
- SMILES
- CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)C2=C(C=CC(=C2)Br)F
- InChI
- InChI=1S/C14H10BrFN2O3/c1-8-3-2-4-12(18(20)21)13(8)17-14(19)10-7-9(15)5-6-11(10)16/h2-7H,1H3,(H,17,19)
- InChIKey
- UVIBNVGJKNGXEI-UHFFFAOYSA-N
- Compound name
- 5-bromo-2-fluoro-N-(2-methyl-6-nitrophenyl)benzamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 352.99315 | 170.8 |
[M+Na]+ | 374.97509 | 180.8 |
[M-H]- | 350.97859 | 178.9 |
[M+NH4]+ | 370.01969 | 186.4 |
[M+K]+ | 390.94903 | 164.8 |
[M+H-H2O]+ | 334.98313 | 171.7 |
[M+HCOO]- | 396.98407 | 192.5 |
[M+CH3COO]- | 410.99972 | 205.6 |
[M+Na-2H]- | 372.96054 | 176.0 |
[M]+ | 351.98532 | 187.5 |
[M]- | 351.98642 | 187.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.