CID 3034136

5h-dibenzarsenole, 5-chloro-

Structural Information

Molecular Formula

C₁₂H₈AsCl

SMILES

C1=CC=C2C(=C1)C3=CC=CC=C3[As]2Cl

InChI

InChI=1S/C12H8AsCl/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8H

InChIKey

XYTQQGPRIVXYTL-UHFFFAOYSA-N

Compound name

5-chlorobenzo[b]arsindole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 261.95303 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]+	262.96031	151.7
[M+Na]+	284.94225	162.6
[M-H]-	260.94575	157.0
[M+NH4]+	279.98685	175.5
[M+K]+	300.91619	156.0
[M+H-H2O]+	244.95029	146.2
[M+HCOO]-	306.95123	170.2
[M+CH3COO]-	320.96688	165.4
[M+Na-2H]-	282.92770	158.0
[M]+	261.95248	154.1
[M]-	261.95358	154.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.