CID 90083

N-(4-chlorophenyl)-1,1,1-trifluoromethanesulfonamide

Structural Information

Molecular Formula
C7H5ClF3NO2S
SMILES
C1=CC(=CC=C1NS(=O)(=O)C(F)(F)F)Cl
InChI
InChI=1S/C7H5ClF3NO2S/c8-5-1-3-6(4-2-5)12-15(13,14)7(9,10)11/h1-4,12H
InChIKey
BBAZFSJXFYFJDS-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-1,1,1-trifluoromethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

15
Patents

258.96817 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.97545 150.2
[M+Na]+ 281.95739 158.4
[M+NH4]+ 277.00199 155.5
[M+K]+ 297.93133 152.6
[M-H]- 257.96089 146.6
[M+Na-2H]- 279.94284 154.0
[M]+ 258.96762 150.7
[M]- 258.96872 150.7
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

patents stripe