CID 78404

4672-30-4

Structural Information

Molecular Formula

C₈H₁₁O₃P

SMILES

C1=CC=C(C=C1)CCP(=O)(O)O

InChI

InChI=1S/C8H11O3P/c9-12(10,11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,9,10,11)

InChIKey

BFDYSJCMAFSRDH-UHFFFAOYSA-N

Compound name

2-phenylethylphosphonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 868
Patents: 186.04459 Da
Monoisotopic Mass: 0.4
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]+	187.051866	141.2
[M+Na]+	209.033808	148.2
[M-H]-	185.037314	141.0
[M+NH4]+	204.078413	160.1
[M+K]+	225.007748	145.9
[M+H-H2O]+	169.041850	134.0
[M+HCOO]-	231.042791	167.4
[M+CH3COO]-	245.058441	175.6
[M+Na-2H]-	207.019256	145.6
[M]+	186.04404142	141.5
[M]-	186.04513858	141.5

Literature stripe

literature stripe

Patent stripe

patents stripe