CID 2440703

794573-22-1

Structural Information

Molecular Formula
C15H14ClNO5S
SMILES
C1=CC=C(C=C1)OCCNS(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)O
InChI
InChI=1S/C15H14ClNO5S/c16-14-7-6-12(10-13(14)15(18)19)23(20,21)17-8-9-22-11-4-2-1-3-5-11/h1-7,10,17H,8-9H2,(H,18,19)
InChIKey
DGQKUOHWKOMZIA-UHFFFAOYSA-N
Compound name
2-chloro-5-(2-phenoxyethylsulfamoyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

355.0281 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.03538 175.0
[M+Na]+ 378.01732 182.5
[M-H]- 354.02082 180.7
[M+NH4]+ 373.06192 187.9
[M+K]+ 393.99126 177.1
[M+H-H2O]+ 338.02536 168.6
[M+HCOO]- 400.02630 188.0
[M+CH3COO]- 414.04195 206.6
[M+Na-2H]- 376.00277 178.4
[M]+ 355.02755 180.9
[M]- 355.02865 180.9
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.