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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	219.059796	142.1
[M+Na]+	241.041738	150.7
[M-H]-	217.045244	144.5
[M+NH4]+	236.086343	160.4
[M+K]+	257.015678	147.0
[M+H-H2O]+	201.049780	135.2
[M+HCOO]-	263.050721	161.0
[M+CH3COO]-	277.066371	189.1
[M+Na-2H]-	239.027186	146.0
[M]+	218.05197142	141.6
[M]-	218.05306858	141.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.