CID 15253027

145240-42-2

Structural Information

Molecular Formula

C₈H₆F₂O₂

SMILES

C1=CC(=C(C=C1F)F)C(=O)CO

InChI

InChI=1S/C8H6F2O2/c9-5-1-2-6(7(10)3-5)8(12)4-11/h1-3,11H,4H2

InChIKey

QTPAAEPVWGSHJB-UHFFFAOYSA-N

Compound name

1-(2,4-difluorophenyl)-2-hydroxyethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 172.03358 Da
Monoisotopic Mass: 1.2
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]+	173.04086	135.0
[M+Na]+	195.02280	145.9
[M+NH4]+	190.06740	141.6
[M+K]+	210.99674	140.6
[M-H]-	171.02630	133.3
[M+Na-2H]-	193.00825	139.7
[M]+	172.03303	135.8
[M]-	172.03413	135.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.