CID 19957393
1447913-56-5
Structural Information
- Molecular Formula
- C6H5F3OS
- SMILES
- C1=C(SC=C1CO)C(F)(F)F
- InChI
- InChI=1S/C6H5F3OS/c7-6(8,9)5-1-4(2-10)3-11-5/h1,3,10H,2H2
- InChIKey
- JHPPIFOSKSRKDK-UHFFFAOYSA-N
- Compound name
- [5-(trifluoromethyl)thiophen-3-yl]methanol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 183.00861 | 130.0 |
[M+Na]+ | 204.99055 | 139.9 |
[M-H]- | 180.99405 | 129.2 |
[M+NH4]+ | 200.03515 | 151.9 |
[M+K]+ | 220.96449 | 136.9 |
[M+H-H2O]+ | 164.99859 | 123.3 |
[M+HCOO]- | 226.99953 | 145.0 |
[M+CH3COO]- | 241.01518 | 174.7 |
[M+Na-2H]- | 202.97600 | 131.9 |
[M]+ | 182.00078 | 127.8 |
[M]- | 182.00188 | 127.8 |
Literature stripe
No literature data available for this compound.