CID 136132

Arsabenzene

Structural Information

Molecular Formula

SMILES

C1=CC=[As]C=C1

InChI

InChI=1S/C5H5As/c1-2-4-6-5-3-1/h1-5H

InChIKey

XRFXFAVKXJREHL-UHFFFAOYSA-N

Compound name

arsinine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 501
Patents: 139.96072 Da
Monoisotopic Mass: None
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]+	140.96800	121.3
[M+Na]+	162.94994	128.6
[M-H]-	138.95344	124.6
[M+NH4]+	157.99454	144.6
[M+K]+	178.92388	127.4
[M+H-H2O]+	122.95798	115.9
[M+HCOO]-	184.95892	146.3
[M+CH3COO]-	198.97457	163.6
[M+Na-2H]-	160.93539	131.0
[M]+	139.96017	119.8
[M]-	139.96127	119.8

Literature stripe

literature stripe

Patent stripe

patents stripe