CID 3874661

N-[4-(trifluoromethyl)benzyl]benzenesulfonamide

Structural Information

Molecular Formula
C14H12F3NO2S
SMILES
C1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C14H12F3NO2S/c15-14(16,17)12-8-6-11(7-9-12)10-18-21(19,20)13-4-2-1-3-5-13/h1-9,18H,10H2
InChIKey
SYZHSBWIEHGZKY-UHFFFAOYSA-N
Compound name
N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

315.05408 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.06136 169.4
[M+Na]+ 338.04330 178.4
[M+NH4]+ 333.08790 174.6
[M+K]+ 354.01724 171.2
[M-H]- 314.04680 168.2
[M+Na-2H]- 336.02875 175.4
[M]+ 315.05353 170.6
[M]- 315.05463 170.6
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

patents stripe