CID 13488464
4837-26-7
Structural Information
- Molecular Formula
- C8H6F2O2S
- SMILES
- C1=CC(=CC=C1C(=O)O)SC(F)F
- InChI
- InChI=1S/C8H6F2O2S/c9-8(10)13-6-3-1-5(2-4-6)7(11)12/h1-4,8H,(H,11,12)
- InChIKey
- ZZJSQHYCIPFNKN-UHFFFAOYSA-N
- Compound name
- 4-(difluoromethylsulfanyl)benzoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 205.01294 | 140.8 |
[M+Na]+ | 226.99488 | 150.3 |
[M+NH4]+ | 222.03948 | 147.6 |
[M+K]+ | 242.96882 | 143.8 |
[M-H]- | 202.99838 | 139.1 |
[M+Na-2H]- | 224.98033 | 144.6 |
[M]+ | 204.00511 | 141.8 |
[M]- | 204.00621 | 141.8 |
Literature stripe
No literature data available for this compound.