CID 43132044

N-[(3-fluorophenyl)methyl]-n-methylaminosulfonamide

Structural Information

Molecular Formula

C₈H₁₁FN₂O₂S

SMILES

CN(CC1=CC(=CC=C1)F)S(=O)(=O)N

InChI

InChI=1S/C8H11FN2O2S/c1-11(14(10,12)13)6-7-3-2-4-8(9)5-7/h2-5H,6H2,1H3,(H2,10,12,13)

InChIKey

MTNUKOMLMCLFRR-UHFFFAOYSA-N

Compound name

1-fluoro-3-[[methyl(sulfamoyl)amino]methyl]benzene

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	142.4
[M+Na]+	241.041738	150.3
[M-H]-	217.045244	145.9
[M+NH4]+	236.086343	161.1
[M+K]+	257.015678	148.0
[M+H-H2O]+	201.049780	135.1
[M+HCOO]-	263.050721	161.8
[M+CH3COO]-	277.066371	191.2
[M+Na-2H]-	239.027186	146.3
[M]+	218.05197142	142.8
[M]-	218.05306858	142.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.