CID 1530178

N-[2-(4-fluorophenyl)ethyl]methanesulfonamide

Structural Information

Molecular Formula
C9H12FNO2S
SMILES
CS(=O)(=O)NCCC1=CC=C(C=C1)F
InChI
InChI=1S/C9H12FNO2S/c1-14(12,13)11-7-6-8-2-4-9(10)5-3-8/h2-5,11H,6-7H2,1H3
InChIKey
JZUQJFQXYYHUJT-UHFFFAOYSA-N
Compound name
N-[2-(4-fluorophenyl)ethyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

217.05728 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.06456 142.7
[M+Na]+ 240.04650 151.1
[M-H]- 216.05000 145.4
[M+NH4]+ 235.09110 161.6
[M+K]+ 256.02044 147.6
[M+H-H2O]+ 200.05454 135.9
[M+HCOO]- 262.05548 161.1
[M+CH3COO]- 276.07113 186.5
[M+Na-2H]- 238.03195 147.4
[M]+ 217.05673 144.1
[M]- 217.05783 144.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.