CID 165587358
2763588-82-3
Structural Information
- Molecular Formula
- C5H6F2O3
- SMILES
- C([C@@H]1[C@H](C1(F)F)C(=O)O)O
- InChI
- InChI=1S/C5H6F2O3/c6-5(7)2(1-8)3(5)4(9)10/h2-3,8H,1H2,(H,9,10)/t2-,3+/m1/s1
- InChIKey
- RRRNPZHBPGIYEK-GBXIJSLDSA-N
- Compound name
- (1S,3S)-2,2-difluoro-3-(hydroxymethyl)cyclopropane-1-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 153.03578 | 121.4 |
[M+Na]+ | 175.01772 | 132.6 |
[M-H]- | 151.02122 | 122.0 |
[M+NH4]+ | 170.06232 | 138.6 |
[M+K]+ | 190.99166 | 130.2 |
[M+H-H2O]+ | 135.02576 | 116.5 |
[M+HCOO]- | 197.02670 | 140.3 |
[M+CH3COO]- | 211.04235 | 174.4 |
[M+Na-2H]- | 173.00317 | 126.5 |
[M]+ | 152.02795 | 121.9 |
[M]- | 152.02905 | 121.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.