CID 39854

4-{[(4-chlorophenyl)sulfonyl]amino}benzoic acid

Structural Information

Molecular Formula
C13H10ClNO4S
SMILES
C1=CC(=CC=C1C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H10ClNO4S/c14-10-3-7-12(8-4-10)20(18,19)15-11-5-1-9(2-6-11)13(16)17/h1-8,15H,(H,16,17)
InChIKey
IBRLPMYEEPGIAK-UHFFFAOYSA-N
Compound name
4-[(4-chlorophenyl)sulfonylamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

11
Patents

311.0019 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.00918 165.5
[M+Na]+ 333.99112 178.2
[M+NH4]+ 329.03572 172.5
[M+K]+ 349.96506 170.7
[M-H]- 309.99462 168.0
[M+Na-2H]- 331.97657 173.0
[M]+ 311.00135 168.7
[M]- 311.00245 168.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe