CID 2094179

3-(2-chlorobenzenesulfonamido)propanoic acid

Structural Information

Molecular Formula
C9H10ClNO4S
SMILES
C1=CC=C(C(=C1)S(=O)(=O)NCCC(=O)O)Cl
InChI
InChI=1S/C9H10ClNO4S/c10-7-3-1-2-4-8(7)16(14,15)11-6-5-9(12)13/h1-4,11H,5-6H2,(H,12,13)
InChIKey
HJRPPGPCPXRMFK-UHFFFAOYSA-N
Compound name
3-[(2-chlorophenyl)sulfonylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

263.0019 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.00918 154.1
[M+Na]+ 285.99112 164.1
[M+NH4]+ 281.03572 160.4
[M+K]+ 301.96506 158.0
[M-H]- 261.99462 153.7
[M+Na-2H]- 283.97657 158.3
[M]+ 263.00135 155.9
[M]- 263.00245 155.9
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

patents stripe