CID 711040

4-methyl-n-[2-(trifluoromethyl)phenyl]benzenesulfonamide

Structural Information

Molecular Formula
C14H12F3NO2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(F)(F)F
InChI
InChI=1S/C14H12F3NO2S/c1-10-6-8-11(9-7-10)21(19,20)18-13-5-3-2-4-12(13)14(15,16)17/h2-9,18H,1H3
InChIKey
OKKLBZGYMORYHE-UHFFFAOYSA-N
Compound name
4-methyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

315.05408 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.06136 165.3
[M+Na]+ 338.04330 174.3
[M-H]- 314.04680 168.5
[M+NH4]+ 333.08790 179.9
[M+K]+ 354.01724 168.8
[M+H-H2O]+ 298.05134 155.6
[M+HCOO]- 360.05228 179.9
[M+CH3COO]- 374.06793 203.7
[M+Na-2H]- 336.02875 169.3
[M]+ 315.05353 163.5
[M]- 315.05463 163.5
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

patents stripe