CID 853960

727-31-1

Structural Information

Molecular Formula
C13H12FNO2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)F
InChI
InChI=1S/C13H12FNO2S/c1-10-2-8-13(9-3-10)18(16,17)15-12-6-4-11(14)5-7-12/h2-9,15H,1H3
InChIKey
FVZXDKXFEPVJRE-UHFFFAOYSA-N
Compound name
N-(4-fluorophenyl)-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

43
Patents

265.05728 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.06456 154.9
[M+Na]+ 288.04650 164.0
[M-H]- 264.05000 161.0
[M+NH4]+ 283.09110 171.8
[M+K]+ 304.02044 159.0
[M+H-H2O]+ 248.05454 147.1
[M+HCOO]- 310.05548 173.7
[M+CH3COO]- 324.07113 195.5
[M+Na-2H]- 286.03195 159.7
[M]+ 265.05673 155.8
[M]- 265.05783 155.8
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.