CID 2777710
2-[3-(trifluoromethyl)benzenesulfonamido]propanoic acid
Structural Information
- Molecular Formula
- C10H10F3NO4S
- SMILES
- CC(C(=O)O)NS(=O)(=O)C1=CC=CC(=C1)C(F)(F)F
- InChI
- InChI=1S/C10H10F3NO4S/c1-6(9(15)16)14-19(17,18)8-4-2-3-7(5-8)10(11,12)13/h2-6,14H,1H3,(H,15,16)
- InChIKey
- OZVPEEXYQQFKJL-UHFFFAOYSA-N
- Compound name
- 2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 298.03554 | 156.8 |
[M+Na]+ | 320.01748 | 163.8 |
[M-H]- | 296.02098 | 155.2 |
[M+NH4]+ | 315.06208 | 171.0 |
[M+K]+ | 335.99142 | 160.6 |
[M+H-H2O]+ | 280.02552 | 148.5 |
[M+HCOO]- | 342.02646 | 168.2 |
[M+CH3COO]- | 356.04211 | 197.4 |
[M+Na-2H]- | 318.00293 | 158.9 |
[M]+ | 297.02771 | 154.6 |
[M]- | 297.02881 | 154.6 |