CID 2380525

5-[benzyl(methyl)sulfamoyl]-2-chlorobenzoic acid

Structural Information

Molecular Formula
C15H14ClNO4S
SMILES
CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)O
InChI
InChI=1S/C15H14ClNO4S/c1-17(10-11-5-3-2-4-6-11)22(20,21)12-7-8-14(16)13(9-12)15(18)19/h2-9H,10H2,1H3,(H,18,19)
InChIKey
OZKYTVRFQCGZKP-UHFFFAOYSA-N
Compound name
5-[benzyl(methyl)sulfamoyl]-2-chlorobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

339.0332 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.04048 171.8
[M+Na]+ 362.02242 179.7
[M-H]- 338.02592 179.1
[M+NH4]+ 357.06702 186.2
[M+K]+ 377.99636 175.1
[M+H-H2O]+ 322.03046 165.5
[M+HCOO]- 384.03140 185.0
[M+CH3COO]- 398.04705 207.6
[M+Na-2H]- 360.00787 174.3
[M]+ 339.03265 177.7
[M]- 339.03375 177.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.