CID 823000

3-(4-chlorobenzenesulfonamido)propanoic acid

Structural Information

Molecular Formula
C9H10ClNO4S
SMILES
C1=CC(=CC=C1S(=O)(=O)NCCC(=O)O)Cl
InChI
InChI=1S/C9H10ClNO4S/c10-7-1-3-8(4-2-7)16(14,15)11-6-5-9(12)13/h1-4,11H,5-6H2,(H,12,13)
InChIKey
LLOGDSQFNVFUAW-UHFFFAOYSA-N
Compound name
3-[(4-chlorophenyl)sulfonylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
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 151.4
[M+Na]+ 285.99112 159.4
[M-H]- 261.99462 154.1
[M+NH4]+ 281.03572 168.2
[M+K]+ 301.96506 154.8
[M+H-H2O]+ 245.99916 146.7
[M+HCOO]- 308.00010 164.4
[M+CH3COO]- 322.01575 189.3
[M+Na-2H]- 283.97657 155.2
[M]+ 263.00135 155.5
[M]- 263.00245 155.5
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