CID 21889045

Divinyl phthalate

Structural Information

Molecular Formula

C₁₂H₁₀O₄

SMILES

C=COC(=O)C1=CC=CC=C1C(=O)OC=C

InChI

InChI=1S/C12H10O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h3-8H,1-2H2

InChIKey

PIPBVABVQJZSAB-UHFFFAOYSA-N

Compound name

bis(ethenyl) benzene-1,2-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6456
Patents: 218.0579 Da
Monoisotopic Mass: 2.5
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]+	219.065176	144.5
[M+Na]+	241.047118	152.2
[M-H]-	217.050624	148.2
[M+NH4]+	236.091723	162.8
[M+K]+	257.021058	150.3
[M+H-H2O]+	201.055160	138.4
[M+HCOO]-	263.056101	167.8
[M+CH3COO]-	277.071751	186.5
[M+Na-2H]-	239.032566	148.1
[M]+	218.05735142	147.5
[M]-	218.05844858	147.5

Literature stripe

literature stripe

Patent stripe

patents stripe