CID 776741
[(4-fluorobenzyl)thio]acetic acid
Structural Information
- Molecular Formula
- C9H9FO2S
- SMILES
- C1=CC(=CC=C1CSCC(=O)O)F
- InChI
- InChI=1S/C9H9FO2S/c10-8-3-1-7(2-4-8)5-13-6-9(11)12/h1-4H,5-6H2,(H,11,12)
- InChIKey
- ORCMGWGLMCFUIA-UHFFFAOYSA-N
- Compound name
- 2-[(4-fluorophenyl)methylsulfanyl]acetic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 201.03801 | 140.9 |
[M+Na]+ | 223.01995 | 151.7 |
[M+NH4]+ | 218.06455 | 148.7 |
[M+K]+ | 238.99389 | 144.0 |
[M-H]- | 199.02345 | 141.0 |
[M+Na-2H]- | 221.00540 | 145.7 |
[M]+ | 200.03018 | 142.7 |
[M]- | 200.03128 | 142.7 |