CID 18535345
500605-08-3
Structural Information
- Molecular Formula
- C10H6FNO2S
- SMILES
- C1=CC=C(C(=C1)C2=NC=C(S2)C(=O)O)F
- InChI
- InChI=1S/C10H6FNO2S/c11-7-4-2-1-3-6(7)9-12-5-8(15-9)10(13)14/h1-5H,(H,13,14)
- InChIKey
- XXKQUDUROIXGAP-UHFFFAOYSA-N
- Compound name
- 2-(2-fluorophenyl)-1,3-thiazole-5-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 224.01761 | 143.2 |
[M+Na]+ | 245.99955 | 153.3 |
[M-H]- | 222.00305 | 147.2 |
[M+NH4]+ | 241.04415 | 162.0 |
[M+K]+ | 261.97349 | 149.3 |
[M+H-H2O]+ | 206.00759 | 136.1 |
[M+HCOO]- | 268.00853 | 160.5 |
[M+CH3COO]- | 282.02418 | 182.7 |
[M+Na-2H]- | 243.98500 | 144.2 |
[M]+ | 223.00978 | 144.1 |
[M]- | 223.01088 | 144.1 |
Literature stripe
No literature data available for this compound.