CID 12017647

2-benzenesulfonamido-5-chlorobenzoic acid

Structural Information

Molecular Formula
C13H10ClNO4S
SMILES
C1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)Cl)C(=O)O
InChI
InChI=1S/C13H10ClNO4S/c14-9-6-7-12(11(8-9)13(16)17)15-20(18,19)10-4-2-1-3-5-10/h1-8,15H,(H,16,17)
InChIKey
VHCWWQHZZNFJRT-UHFFFAOYSA-N
Compound name
2-(benzenesulfonamido)-5-chlorobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

311.0019 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.00918 163.6
[M+Na]+ 333.99112 172.3
[M-H]- 309.99462 169.7
[M+NH4]+ 329.03572 178.4
[M+K]+ 349.96506 166.6
[M+H-H2O]+ 293.99916 157.8
[M+HCOO]- 356.00010 177.0
[M+CH3COO]- 370.01575 198.5
[M+Na-2H]- 331.97657 167.6
[M]+ 311.00135 167.4
[M]- 311.00245 167.4
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

patents stripe