CID 22326596

Methylphenylethylsulfamoyl chloride

Structural Information

Molecular Formula

C₉H₁₂ClNO₂S

SMILES

CN(CCC1=CC=CC=C1)S(=O)(=O)Cl

InChI

InChI=1S/C9H12ClNO2S/c1-11(14(10,12)13)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3

InChIKey

ISCAMBXOCUKHCZ-UHFFFAOYSA-N

Compound name

N-methyl-N-(2-phenylethyl)sulfamoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 233.02773 Da
Monoisotopic Mass: 2.3
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]+	234.03501	148.8
[M+Na]+	256.01695	160.6
[M+NH4]+	251.06155	157.3
[M+K]+	271.99089	152.5
[M-H]-	232.02045	150.8
[M+Na-2H]-	254.00240	155.4
[M]+	233.02718	151.8
[M]-	233.02828	151.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe