CID 98260
Chlorofluoroacetic acid
Structural Information
- Molecular Formula
- C2H2ClFO2
- SMILES
- C(C(=O)O)(F)Cl
- InChI
- InChI=1S/C2H2ClFO2/c3-1(4)2(5)6/h1H,(H,5,6)
- InChIKey
- JBIKZDFUXGHTHD-UHFFFAOYSA-N
- Compound name
- 2-chloro-2-fluoroacetic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 112.98001 | 112.2 |
[M+Na]+ | 134.96195 | 121.3 |
[M-H]- | 110.96545 | 110.5 |
[M+NH4]+ | 130.00655 | 135.1 |
[M+K]+ | 150.93589 | 119.8 |
[M+H-H2O]+ | 94.969990 | 108.9 |
[M+HCOO]- | 156.97093 | 129.1 |
[M+CH3COO]- | 170.98658 | 163.8 |
[M+Na-2H]- | 132.94740 | 117.7 |
[M]+ | 111.97218 | 111.6 |
[M]- | 111.97328 | 111.6 |