CID 100809

91308-61-1

Structural Information

Molecular Formula
C13H8ClF4NO2S
SMILES
C1=CC(=CC=C1F)S(=O)(=O)NC2=C(C=C(C=C2)Cl)C(F)(F)F
InChI
InChI=1S/C13H8ClF4NO2S/c14-8-1-6-12(11(7-8)13(16,17)18)19-22(20,21)10-4-2-9(15)3-5-10/h1-7,19H
InChIKey
PJDHKQVFXSGRMO-UHFFFAOYSA-N
Compound name
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-fluorobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.99005 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.99733 174.2
[M+Na]+ 375.97927 182.8
[M+NH4]+ 371.02387 178.4
[M+K]+ 391.95321 176.0
[M-H]- 351.98277 171.5
[M+Na-2H]- 373.96472 178.7
[M]+ 352.98950 175.0
[M]- 352.99060 175.0
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.