CID 2322805

327106-17-2

Structural Information

Molecular Formula
C15H14ClNO4S
SMILES
CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)O)C
InChI
InChI=1S/C15H14ClNO4S/c1-9-3-4-11(7-10(9)2)17-22(20,21)12-5-6-14(16)13(8-12)15(18)19/h3-8,17H,1-2H3,(H,18,19)
InChIKey
OKKFXFCGXAUYLY-UHFFFAOYSA-N
Compound name
2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.0332 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.04048 171.8
[M+Na]+ 362.02242 181.1
[M-H]- 338.02592 178.2
[M+NH4]+ 357.06702 186.0
[M+K]+ 377.99636 175.3
[M+H-H2O]+ 322.03046 166.0
[M+HCOO]- 384.03140 184.4
[M+CH3COO]- 398.04705 207.0
[M+Na-2H]- 360.00787 173.6
[M]+ 339.03265 177.1
[M]- 339.03375 177.1
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

No patent data available for this compound.