CID 13004972
4,4,4-trifluoro-2-oxobutanoic acid
Structural Information
- Molecular Formula
- C4H3F3O3
- SMILES
- C(C(=O)C(=O)O)C(F)(F)F
- InChI
- InChI=1S/C4H3F3O3/c5-4(6,7)1-2(8)3(9)10/h1H2,(H,9,10)
- InChIKey
- IXGAKEYUIVMAER-UHFFFAOYSA-N
- Compound name
- 4,4,4-trifluoro-2-oxobutanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 157.01071 | 123.0 |
[M+Na]+ | 178.99265 | 131.3 |
[M-H]- | 154.99615 | 118.5 |
[M+NH4]+ | 174.03725 | 143.0 |
[M+K]+ | 194.96659 | 130.9 |
[M+H-H2O]+ | 139.00069 | 116.8 |
[M+HCOO]- | 201.00163 | 140.4 |
[M+CH3COO]- | 215.01728 | 172.2 |
[M+Na-2H]- | 176.97810 | 127.2 |
[M]+ | 156.00288 | 118.9 |
[M]- | 156.00398 | 118.9 |