CID 43580835

N-[2-(aminomethyl)-3-fluorophenyl]methanesulfonamide hydrochloride

Structural Information

Molecular Formula
C8H11FN2O2S
SMILES
CS(=O)(=O)NC1=C(C(=CC=C1)F)CN
InChI
InChI=1S/C8H11FN2O2S/c1-14(12,13)11-8-4-2-3-7(9)6(8)5-10/h2-4,11H,5,10H2,1H3
InChIKey
SKVDGAHBNKIBBP-UHFFFAOYSA-N
Compound name
N-[2-(aminomethyl)-3-fluorophenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.05252 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.05980 144.2
[M+Na]+ 241.04174 153.2
[M+NH4]+ 236.08634 150.8
[M+K]+ 257.01568 147.0
[M-H]- 217.04524 144.3
[M+Na-2H]- 239.02719 148.7
[M]+ 218.05197 145.6
[M]- 218.05307 145.6
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.