CID 3530954

606944-48-3

Structural Information

Molecular Formula
C19H14ClNO5S
SMILES
C1=CC=C(C(=C1)OC2=CC=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)O)Cl
InChI
InChI=1S/C19H14ClNO5S/c20-17-3-1-2-4-18(17)26-15-9-11-16(12-10-15)27(24,25)21-14-7-5-13(6-8-14)19(22)23/h1-12,21H,(H,22,23)
InChIKey
OMOBIVNVBIPQNK-UHFFFAOYSA-N
Compound name
4-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.0281 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.03538 189.1
[M+Na]+ 426.01732 203.3
[M+NH4]+ 421.06192 195.7
[M+K]+ 441.99126 194.7
[M-H]- 402.02082 193.9
[M+Na-2H]- 424.00277 198.7
[M]+ 403.02755 193.3
[M]- 403.02865 193.3
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.