CID 20368024

4-(chloromethyl)-n-methylbenzene-1-sulfonamide

Structural Information

Molecular Formula

C₈H₁₀ClNO₂S

SMILES

CNS(=O)(=O)C1=CC=C(C=C1)CCl

InChI

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

InChIKey

SCOKBLHXFKRSFA-UHFFFAOYSA-N

Compound name

4-(chloromethyl)-N-methylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
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]+	220.01936	144.8
[M+Na]+	242.00130	156.9
[M+NH4]+	237.04590	153.2
[M+K]+	257.97524	148.7
[M-H]-	218.00480	146.5
[M+Na-2H]-	239.98675	151.0
[M]+	219.01153	147.7
[M]-	219.01263	147.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe