CID 2077663

4-acetyl-n-(4-fluorobenzyl)benzenesulfonamide

Structural Information

Molecular Formula
C15H14FNO3S
SMILES
CC(=O)C1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)F
InChI
InChI=1S/C15H14FNO3S/c1-11(18)13-4-8-15(9-5-13)21(19,20)17-10-12-2-6-14(16)7-3-12/h2-9,17H,10H2,1H3
InChIKey
YDVGJYFZJBEFKO-UHFFFAOYSA-N
Compound name
4-acetyl-N-[(4-fluorophenyl)methyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.06784 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.07512 166.4
[M+Na]+ 330.05706 174.2
[M-H]- 306.06056 172.0
[M+NH4]+ 325.10166 181.1
[M+K]+ 346.03100 169.4
[M+H-H2O]+ 290.06510 158.0
[M+HCOO]- 352.06604 183.7
[M+CH3COO]- 366.08169 203.6
[M+Na-2H]- 328.04251 169.3
[M]+ 307.06729 168.0
[M]- 307.06839 168.0
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.