CID 80448

P-ethoxybenzenearsonic acid

Structural Information

Molecular Formula

C₈H₁₁AsO₄

SMILES

CCOC1=CC=C(C=C1)[As](=O)(O)O

InChI

InChI=1S/C8H11AsO4/c1-2-13-8-5-3-7(4-6-8)9(10,11)12/h3-6H,2H2,1H3,(H2,10,11,12)

InChIKey

VTLDLMRYPIFVJC-UHFFFAOYSA-N

Compound name

(4-ethoxyphenyl)arsonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 245.98734 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]+	246.99462	145.8
[M+Na]+	268.97656	156.6
[M+NH4]+	264.02116	152.3
[M+K]+	284.95050	152.2
[M-H]-	244.98006	145.1
[M+Na-2H]-	266.96201	150.5
[M]+	245.98679	147.0
[M]-	245.98789	147.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe