CID 30852

Allyl phenyl arsinic acid

Structural Information

Molecular Formula

C₉H₁₁AsO₂

SMILES

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

InChI

InChI=1S/C9H11AsO2/c1-2-8-10(11,12)9-6-4-3-5-7-9/h2-7H,1,8H2,(H,11,12)

InChIKey

KNZSNYJBQFTWDN-UHFFFAOYSA-N

Compound name

phenyl(prop-2-enyl)arsinic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 225.9975 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]+	227.004776	144.9
[M+Na]+	248.986718	152.0
[M-H]-	224.990224	146.7
[M+NH4]+	244.031323	164.2
[M+K]+	264.960658	148.8
[M+H-H2O]+	208.994760	139.3
[M+HCOO]-	270.995701	166.3
[M+CH3COO]-	285.011351	176.4
[M+Na-2H]-	246.972166	151.6
[M]+	225.99695142	144.3
[M]-	225.99804858	144.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe