CID 16226907
1025058-88-1
Structural Information
- Molecular Formula
- C11H14ClNO6S2
- SMILES
- CS(=O)(=O)CCC(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)Cl
- InChI
- InChI=1S/C11H14ClNO6S2/c1-20(16,17)7-6-10(11(14)15)13-21(18,19)9-4-2-8(12)3-5-9/h2-5,10,13H,6-7H2,1H3,(H,14,15)
- InChIKey
- XXEGZIFBFGHLFW-UHFFFAOYSA-N
- Compound name
- 2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfonylbutanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 356.00240 | 171.7 |
[M+Na]+ | 377.98434 | 177.7 |
[M-H]- | 353.98784 | 173.6 |
[M+NH4]+ | 373.02894 | 184.2 |
[M+K]+ | 393.95828 | 172.3 |
[M+H-H2O]+ | 337.99238 | 166.8 |
[M+HCOO]- | 399.99332 | 176.7 |
[M+CH3COO]- | 414.00897 | 203.8 |
[M+Na-2H]- | 375.96979 | 174.2 |
[M]+ | 354.99457 | 177.3 |
[M]- | 354.99567 | 177.3 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.