CID 10845

Oxophenarsine

Structural Information

Molecular Formula

C₆H₆AsNO₂

SMILES

C1=CC(=C(C=C1[As]=O)N)O

InChI

InChI=1S/C6H6AsNO2/c8-5-3-4(7-10)1-2-6(5)9/h1-3,9H,8H2

InChIKey

KVGGQNNGLOIZSK-UHFFFAOYSA-N

Compound name

2-amino-4-arsorosophenol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 276
References: 1425
Patents: 198.96144 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]+	199.968716	135.5
[M+Na]+	221.950658	144.2
[M-H]-	197.954164	137.7
[M+NH4]+	216.995263	155.8
[M+K]+	237.924598	141.5
[M+H-H2O]+	181.958700	129.8
[M+HCOO]-	243.959641	159.6
[M+CH3COO]-	257.975291	174.4
[M+Na-2H]-	219.936106	140.9
[M]+	198.96089142	134.0
[M]-	198.96198858	134.0

Literature stripe

literature stripe

Patent stripe

patents stripe