CID 11362

Adamsite

Structural Information

Molecular Formula

C₁₂H₉AsClN

SMILES

C1=CC=C2C(=C1)NC3=CC=CC=C3[As]2Cl

InChI

InChI=1S/C12H9AsClN/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8,15H

InChIKey

PBNSPNYJYOYWTA-UHFFFAOYSA-N

Compound name

10-chloro-5H-phenarsazinine

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 6
References: 474
Patents: 276.96396 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]+	277.97124	153.7
[M+Na]+	299.95318	163.0
[M-H]-	275.95668	155.6
[M+NH4]+	294.99778	172.7
[M+K]+	315.92712	155.7
[M+H-H2O]+	259.96122	146.7
[M+HCOO]-	321.96216	167.1
[M+CH3COO]-	335.97781	165.2
[M+Na-2H]-	297.93863	161.6
[M]+	276.96341	152.6
[M]-	276.96451	152.6

Literature stripe

literature stripe

Patent stripe

patents stripe