CID 853079

4-chloro-3-(dimethylsulfamoyl)benzoic acid

Structural Information

Molecular Formula
C9H10ClNO4S
SMILES
CN(C)S(=O)(=O)C1=C(C=CC(=C1)C(=O)O)Cl
InChI
InChI=1S/C9H10ClNO4S/c1-11(2)16(14,15)8-5-6(9(12)13)3-4-7(8)10/h3-5H,1-2H3,(H,12,13)
InChIKey
YMPQIPORTHDIJK-UHFFFAOYSA-N
Compound name
4-chloro-3-(dimethylsulfamoyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

263.0019 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.009176 149.8
[M+Na]+ 285.991118 158.8
[M-H]- 261.994624 154.5
[M+NH4]+ 281.035723 167.6
[M+K]+ 301.965058 155.8
[M+H-H2O]+ 245.999160 145.3
[M+HCOO]- 308.000101 163.3
[M+CH3COO]- 322.015751 193.9
[M+Na-2H]- 283.976566 152.4
[M]+ 263.00135142 155.7
[M]- 263.00244858 155.7
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