CID 13529095

56379-96-5

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: 116
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	138.1
[M+Na]+	227.98565	147.1
[M-H]-	203.98915	142.2
[M+NH4]+	223.03025	158.1
[M+K]+	243.95959	142.8
[M+H-H2O]+	187.99369	133.5
[M+HCOO]-	249.99463	153.7
[M+CH3COO]-	264.01028	180.5
[M+Na-2H]-	225.97110	144.5
[M]+	204.99588	141.4
[M]-	204.99698	141.4

Literature stripe

literature stripe

Patent stripe

patents stripe