CID 16768786

926223-80-5

Structural Information

Molecular Formula
C15H12F3NO5S
SMILES
CNS(=O)(=O)C1=CC(=C(C=C1)C2=CC=CC=C2OC(F)(F)F)C(=O)O
InChI
InChI=1S/C15H12F3NO5S/c1-19-25(22,23)9-6-7-10(12(8-9)14(20)21)11-4-2-3-5-13(11)24-15(16,17)18/h2-8,19H,1H3,(H,20,21)
InChIKey
VQNRPXDLKCXQPK-UHFFFAOYSA-N
Compound name
5-(methylsulfamoyl)-2-[2-(trifluoromethoxy)phenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.03882 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.04610 177.5
[M+Na]+ 398.02804 185.4
[M-H]- 374.03154 179.3
[M+NH4]+ 393.07264 188.6
[M+K]+ 414.00198 181.0
[M+H-H2O]+ 358.03608 167.7
[M+HCOO]- 420.03702 190.0
[M+CH3COO]- 434.05267 212.1
[M+Na-2H]- 396.01349 180.0
[M]+ 375.03827 177.6
[M]- 375.03937 177.6
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.