CID 11064187

165115-73-1

Structural Information

Molecular Formula

C₁₂H₁₄F₂O₂

SMILES

C=C(CC(CO)CO)C1=C(C=C(C=C1)F)F

InChI

InChI=1S/C12H14F2O2/c1-8(4-9(6-15)7-16)11-3-2-10(13)5-12(11)14/h2-3,5,9,15-16H,1,4,6-7H2

InChIKey

WOLIKRXEOQATPC-UHFFFAOYSA-N

Compound name

2-[2-(2,4-difluorophenyl)prop-2-enyl]propane-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 228.09619 Da
Monoisotopic Mass: 2.3
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]+	229.10347	153.0
[M+Na]+	251.08541	162.2
[M+NH4]+	246.13001	158.5
[M+K]+	267.05935	157.0
[M-H]-	227.08891	150.4
[M+Na-2H]-	249.07086	155.7
[M]+	228.09564	153.2
[M]-	228.09674	153.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe