CID 65031199

N-[2-(chloromethyl)phenyl]methanesulfonamide

Structural Information

Molecular Formula

C₈H₁₀ClNO₂S

SMILES

CS(=O)(=O)NC1=CC=CC=C1CCl

InChI

InChI=1S/C8H10ClNO2S/c1-13(11,12)10-8-5-3-2-4-7(8)6-9/h2-5,10H,6H2,1H3

InChIKey

BYAQOVLKPPTEAV-UHFFFAOYSA-N

Compound name

N-[2-(chloromethyl)phenyl]methanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 219.01208 Da
Monoisotopic Mass: 1.3
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]+	220.019356	142.2
[M+Na]+	242.001298	151.6
[M-H]-	218.004804	146.5
[M+NH4]+	237.045903	162.0
[M+K]+	257.975238	147.1
[M+H-H2O]+	202.009340	137.6
[M+HCOO]-	264.010281	157.4
[M+CH3COO]-	278.025931	184.6
[M+Na-2H]-	239.986746	147.5
[M]+	219.01153142	146.3
[M]-	219.01262858	146.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.