CID 16482406

3-{4-[(4-fluorophenyl)sulfamoyl]phenoxy}benzoic acid

Structural Information

Molecular Formula
C19H14FNO5S
SMILES
C1=CC(=CC(=C1)OC2=CC=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)F)C(=O)O
InChI
InChI=1S/C19H14FNO5S/c20-14-4-6-15(7-5-14)21-27(24,25)18-10-8-16(9-11-18)26-17-3-1-2-13(12-17)19(22)23/h1-12,21H,(H,22,23)
InChIKey
GNSVEZUINVZXKC-UHFFFAOYSA-N
Compound name
3-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.05768 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.06496 185.6
[M+Na]+ 410.04690 192.7
[M-H]- 386.05040 192.9
[M+NH4]+ 405.09150 195.6
[M+K]+ 426.02084 187.4
[M+H-H2O]+ 370.05494 175.7
[M+HCOO]- 432.05588 201.7
[M+CH3COO]- 446.07153 215.1
[M+Na-2H]- 408.03235 188.7
[M]+ 387.05713 187.3
[M]- 387.05823 187.3
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.