CID 3874661

874813-22-6

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

4
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 165.4
[M+Na]+ 338.04330 173.6
[M-H]- 314.04680 168.2
[M+NH4]+ 333.08790 179.8
[M+K]+ 354.01724 168.0
[M+H-H2O]+ 298.05134 155.5
[M+HCOO]- 360.05228 180.1
[M+CH3COO]- 374.06793 202.6
[M+Na-2H]- 336.02875 170.1
[M]+ 315.05353 163.3
[M]- 315.05463 163.3
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