CID 12476475
89326-17-0
Structural Information
- Molecular Formula
- C2H3F5O2S
- SMILES
- C(C(=O)O)S(F)(F)(F)(F)F
- InChI
- InChI=1S/C2H3F5O2S/c3-10(4,5,6,7)1-2(8)9/h1H2,(H,8,9)
- InChIKey
- LUVNRBGIHXZACQ-UHFFFAOYSA-N
- Compound name
- 2-(pentafluoro-lambda6-sulfanyl)acetic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 186.98467 | 118.5 |
[M+Na]+ | 208.96661 | 128.2 |
[M-H]- | 184.97011 | 112.0 |
[M+NH4]+ | 204.01121 | 138.0 |
[M+K]+ | 224.94055 | 126.1 |
[M+H-H2O]+ | 168.97465 | 111.2 |
[M+HCOO]- | 230.97559 | 130.0 |
[M+CH3COO]- | 244.99124 | 175.4 |
[M+Na-2H]- | 206.95206 | 118.7 |
[M]+ | 185.97684 | 113.2 |
[M]- | 185.97794 | 113.2 |