CID 22326596

1349715-99-6

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: 3
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	146.8
[M+Na]+	256.01695	155.0
[M-H]-	232.02045	152.1
[M+NH4]+	251.06155	166.4
[M+K]+	271.99089	151.7
[M+H-H2O]+	216.02499	141.6
[M+HCOO]-	278.02593	162.2
[M+CH3COO]-	292.04158	189.9
[M+Na-2H]-	254.00240	151.6
[M]+	233.02718	152.2
[M]-	233.02828	152.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe