CID 6338136

16758-26-2

Structural Information

Molecular Formula

C₁₂H₁₀AsClN

SMILES

C1=CC=C(C=C1)N(C2=CC=CC=C2)[As]Cl

InChI

InChI=1S/C12H10AsClN/c14-13-15(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H

InChIKey

XMHSZWAUTGKBDP-UHFFFAOYSA-N

Compound name

None

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 277.97177 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]+	278.97905	157.1
[M+Na]+	300.96099	163.8
[M-H]-	276.96449	164.1
[M+NH4]+	296.00559	175.7
[M+K]+	316.93493	159.1
[M+H-H2O]+	260.96903	149.4
[M+HCOO]-	322.96997	178.0
[M+CH3COO]-	336.98562	193.3
[M+Na-2H]-	298.94644	163.6
[M]+	277.97122	158.5
[M]-	277.97232	158.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.