CID 362749

59724-70-8

Structural Information

Molecular Formula
C9H10ClNO4S
SMILES
CC(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)Cl
InChI
InChI=1S/C9H10ClNO4S/c1-6(9(12)13)11-16(14,15)8-4-2-7(10)3-5-8/h2-6,11H,1H3,(H,12,13)
InChIKey
SGHZTBDKKOKWDI-UHFFFAOYSA-N
Compound name
2-[(4-chlorophenyl)sulfonylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

17
Patents

263.0019 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.00918 150.8
[M+Na]+ 285.99112 158.5
[M-H]- 261.99462 153.6
[M+NH4]+ 281.03572 167.5
[M+K]+ 301.96506 154.5
[M+H-H2O]+ 245.99916 146.3
[M+HCOO]- 308.00010 162.8
[M+CH3COO]- 322.01575 190.2
[M+Na-2H]- 283.97657 153.6
[M]+ 263.00135 154.4
[M]- 263.00245 154.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.