CID 61805591

2-(1h-imidazol-1-ylmethyl)benzene-1-sulfonyl chloride hydrochloride

Structural Information

Molecular Formula

C₁₀H₉ClN₂O₂S

SMILES

C1=CC=C(C(=C1)CN2C=CN=C2)S(=O)(=O)Cl

InChI

InChI=1S/C10H9ClN2O2S/c11-16(14,15)10-4-2-1-3-9(10)7-13-6-5-12-8-13/h1-6,8H,7H2

InChIKey

GUQUJAGPSWYORD-UHFFFAOYSA-N

Compound name

2-(imidazol-1-ylmethyl)benzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 256.00732 Da
Monoisotopic Mass: 1.6
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]+	257.014596	153.4
[M+Na]+	278.996538	164.6
[M-H]-	255.000044	158.5
[M+NH4]+	274.041143	171.0
[M+K]+	294.970478	159.5
[M+H-H2O]+	239.004580	146.7
[M+HCOO]-	301.005521	166.8
[M+CH3COO]-	315.021171	186.8
[M+Na-2H]-	276.981986	157.0
[M]+	256.00677142	158.2
[M]-	256.00786858	158.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.