CID 157153
3-chloro-4-fluorobenzotrifluoride
Structural Information
- Molecular Formula
- C7H3ClF4
- SMILES
- C1=CC(=C(C=C1C(F)(F)F)Cl)F
- InChI
- InChI=1S/C7H3ClF4/c8-5-3-4(7(10,11)12)1-2-6(5)9/h1-3H
- InChIKey
- BKHVEYHSOXVAOP-UHFFFAOYSA-N
- Compound name
- 2-chloro-1-fluoro-4-(trifluoromethyl)benzene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 198.99323 | 129.0 |
[M+Na]+ | 220.97517 | 140.7 |
[M-H]- | 196.97867 | 128.2 |
[M+NH4]+ | 216.01977 | 149.7 |
[M+K]+ | 236.94911 | 136.0 |
[M+H-H2O]+ | 180.98321 | 121.8 |
[M+HCOO]- | 242.98415 | 143.9 |
[M+CH3COO]- | 256.99980 | 182.4 |
[M+Na-2H]- | 218.96062 | 134.9 |
[M]+ | 197.98540 | 125.7 |
[M]- | 197.98650 | 125.7 |