CID 129989827
2,2,3,3-tetrafluoro-1-(hydroxymethyl)cyclobutane-1-carboxylic acid
Structural Information
- Molecular Formula
- C6H6F4O3
- SMILES
- C1C(C(C1(F)F)(F)F)(CO)C(=O)O
- InChI
- InChI=1S/C6H6F4O3/c7-5(8)1-4(2-11,3(12)13)6(5,9)10/h11H,1-2H2,(H,12,13)
- InChIKey
- DUIUILJEGFZFSL-UHFFFAOYSA-N
- Compound name
- 2,2,3,3-tetrafluoro-1-(hydroxymethyl)cyclobutane-1-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 203.03258 | 138.1 |
[M+Na]+ | 225.01452 | 147.2 |
[M-H]- | 201.01802 | 135.5 |
[M+NH4]+ | 220.05912 | 155.3 |
[M+K]+ | 240.98846 | 147.9 |
[M+H-H2O]+ | 185.02256 | 129.8 |
[M+HCOO]- | 247.02350 | 152.7 |
[M+CH3COO]- | 261.03915 | 182.2 |
[M+Na-2H]- | 222.99997 | 142.4 |
[M]+ | 202.02475 | 141.5 |
[M]- | 202.02585 | 141.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.