CID 854307

N-(4-fluorobenzyl)-2,4,6-trimethylbenzenesulfonamide

Structural Information

Molecular Formula
C16H18FNO2S
SMILES
CC1=CC(=C(C(=C1)C)S(=O)(=O)NCC2=CC=C(C=C2)F)C
InChI
InChI=1S/C16H18FNO2S/c1-11-8-12(2)16(13(3)9-11)21(19,20)18-10-14-4-6-15(17)7-5-14/h4-9,18H,10H2,1-3H3
InChIKey
GHJBJKJJPWZKMJ-UHFFFAOYSA-N
Compound name
N-[(4-fluorophenyl)methyl]-2,4,6-trimethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.10422 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.11150 167.7
[M+Na]+ 330.09344 177.1
[M-H]- 306.09694 173.9
[M+NH4]+ 325.13804 183.4
[M+K]+ 346.06738 171.6
[M+H-H2O]+ 290.10148 159.6
[M+HCOO]- 352.10242 185.3
[M+CH3COO]- 366.11807 206.9
[M+Na-2H]- 328.07889 169.7
[M]+ 307.10367 170.4
[M]- 307.10477 170.4
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.