CID 16774789

5-chloro-2-(methylsulfonamido)benzoic acid

Structural Information

Molecular Formula
C8H8ClNO4S
SMILES
CS(=O)(=O)NC1=C(C=C(C=C1)Cl)C(=O)O
InChI
InChI=1S/C8H8ClNO4S/c1-15(13,14)10-7-3-2-5(9)4-6(7)8(11)12/h2-4,10H,1H3,(H,11,12)
InChIKey
MSJXONVQCMKJDI-UHFFFAOYSA-N
Compound name
5-chloro-2-(methanesulfonamido)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

127
Patents

248.98625 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.99353 150.1
[M+Na]+ 271.97547 160.7
[M+NH4]+ 267.02007 156.5
[M+K]+ 287.94941 154.9
[M-H]- 247.97897 149.7
[M+Na-2H]- 269.96092 154.3
[M]+ 248.98570 152.0
[M]- 248.98680 152.0
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