CID 67612
4-(trifluoromethoxy)benzoyl fluoride
Structural Information
- Molecular Formula
- C8H4F4O2
- SMILES
- C1=CC(=CC=C1C(=O)F)OC(F)(F)F
- InChI
- InChI=1S/C8H4F4O2/c9-7(13)5-1-3-6(4-2-5)14-8(10,11)12/h1-4H
- InChIKey
- UKJWAZZCGZQPTA-UHFFFAOYSA-N
- Compound name
- 4-(trifluoromethoxy)benzoyl fluoride
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 209.02202 | 134.9 |
[M+Na]+ | 231.00396 | 144.4 |
[M-H]- | 207.00746 | 133.8 |
[M+NH4]+ | 226.04856 | 153.7 |
[M+K]+ | 246.97790 | 142.3 |
[M+H-H2O]+ | 191.01200 | 126.3 |
[M+HCOO]- | 253.01294 | 153.6 |
[M+CH3COO]- | 267.02859 | 184.2 |
[M+Na-2H]- | 228.98941 | 140.0 |
[M]+ | 208.01419 | 131.0 |
[M]- | 208.01529 | 131.0 |