CID 3700147

2,4,6-trimethyl-n-{[2-(trifluoromethyl)phenyl]methyl}benzene-1-sulfonamide

Structural Information

Molecular Formula
C17H18F3NO2S
SMILES
CC1=CC(=C(C(=C1)C)S(=O)(=O)NCC2=CC=CC=C2C(F)(F)F)C
InChI
InChI=1S/C17H18F3NO2S/c1-11-8-12(2)16(13(3)9-11)24(22,23)21-10-14-6-4-5-7-15(14)17(18,19)20/h4-9,21H,10H2,1-3H3
InChIKey
PQSPKFALJRZWAY-UHFFFAOYSA-N
Compound name
2,4,6-trimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.10104 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.10832 178.1
[M+Na]+ 380.09026 187.4
[M-H]- 356.09376 181.5
[M+NH4]+ 375.13486 191.6
[M+K]+ 396.06420 181.4
[M+H-H2O]+ 340.09830 168.2
[M+HCOO]- 402.09924 191.6
[M+CH3COO]- 416.11489 215.1
[M+Na-2H]- 378.07571 179.5
[M]+ 357.10049 178.2
[M]- 357.10159 178.2
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.