CID 20278676

4-chloro-3-methanesulfonamidobenzoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

248.98625 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.993526 146.4
[M+Na]+ 271.975468 155.7
[M-H]- 247.978974 149.6
[M+NH4]+ 267.020073 164.1
[M+K]+ 287.949408 151.4
[M+H-H2O]+ 231.983510 142.2
[M+HCOO]- 293.984451 159.7
[M+CH3COO]- 308.000101 187.6
[M+Na-2H]- 269.960916 150.0
[M]+ 248.98570142 150.6
[M]- 248.98679858 150.6
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