CID 73161

O-arsanilic acid

Structural Information

Molecular Formula

C₆H₈AsNO₃

SMILES

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

InChI

InChI=1S/C6H8AsNO3/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4H,8H2,(H2,9,10,11)

InChIKey

LQCOCUQCZYAYQK-UHFFFAOYSA-N

Compound name

(2-aminophenyl)arsonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 256
Patents: 216.97202 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]+	217.97930	140.0
[M+Na]+	239.96124	147.6
[M-H]-	215.96474	140.6
[M+NH4]+	235.00584	158.6
[M+K]+	255.93518	145.0
[M+H-H2O]+	199.96928	134.6
[M+HCOO]-	261.97022	161.2
[M+CH3COO]-	275.98587	173.3
[M+Na-2H]-	237.94669	146.3
[M]+	216.97147	137.1
[M]-	216.97257	137.1

Literature stripe

literature stripe

Patent stripe

patents stripe