CID 14033113
2-amino-3-{4-[(trifluoromethyl)sulfanyl]phenyl}propanoic acid hydrochloride
Structural Information
- Molecular Formula
- C10H10F3NO2S
- SMILES
- C1=CC(=CC=C1CC(C(=O)O)N)SC(F)(F)F
- InChI
- InChI=1S/C10H10F3NO2S/c11-10(12,13)17-7-3-1-6(2-4-7)5-8(14)9(15)16/h1-4,8H,5,14H2,(H,15,16)
- InChIKey
- VUQLYNOIWQJJOW-UHFFFAOYSA-N
- Compound name
- 2-amino-3-[4-(trifluoromethylsulfanyl)phenyl]propanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 266.04570 | 152.4 |
[M+Na]+ | 288.02764 | 159.0 |
[M-H]- | 264.03114 | 150.0 |
[M+NH4]+ | 283.07224 | 167.9 |
[M+K]+ | 304.00158 | 154.9 |
[M+H-H2O]+ | 248.03568 | 143.8 |
[M+HCOO]- | 310.03662 | 163.9 |
[M+CH3COO]- | 324.05227 | 193.7 |
[M+Na-2H]- | 286.01309 | 151.9 |
[M]+ | 265.03787 | 148.3 |
[M]- | 265.03897 | 148.3 |
Literature stripe
No literature data available for this compound.