CID 13529095

Benzylsulfamoyl chloride

Structural Information

Molecular Formula

C₇H₈ClNO₂S

SMILES

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

InChI

InChI=1S/C7H8ClNO2S/c8-12(10,11)9-6-7-4-2-1-3-5-7/h1-5,9H,6H2

InChIKey

SFAOLWKGJFXPND-UHFFFAOYSA-N

Compound name

N-benzylsulfamoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 109
Patents: 204.99643 Da
Monoisotopic Mass: 2.5
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]+	206.00371	140.2
[M+Na]+	227.98565	152.2
[M+NH4]+	223.03025	148.8
[M+K]+	243.95959	144.1
[M-H]-	203.98915	141.9
[M+Na-2H]-	225.97110	147.0
[M]+	204.99588	143.1
[M]-	204.99698	143.1

Literature stripe

literature stripe

Patent stripe

patents stripe