CID 11063391

Cinnamylphosphonic acid

Structural Information

Molecular Formula

C₉H₁₁O₃P

SMILES

C1=CC=C(C=C1)/C=C/CP(=O)(O)O

InChI

InChI=1S/C9H11O3P/c10-13(11,12)8-4-7-9-5-2-1-3-6-9/h1-7H,8H2,(H2,10,11,12)/b7-4+

InChIKey

AIWAKBITCLOITM-QPJJXVBHSA-N

Compound name

[(E)-3-phenylprop-2-enyl]phosphonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 77
Patents: 198.04459 Da
Monoisotopic Mass: 0.8
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]+	199.05187	144.7
[M+Na]+	221.03381	151.6
[M-H]-	197.03731	144.4
[M+NH4]+	216.07841	163.0
[M+K]+	237.00775	148.5
[M+H-H2O]+	181.04185	137.3
[M+HCOO]-	243.04279	170.8
[M+CH3COO]-	257.05844	177.0
[M+Na-2H]-	219.01926	148.6
[M]+	198.04404	144.5
[M]-	198.04514	144.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe