CID 117276904

1-(2,4-difluoro-5-hydroxyphenyl)ethan-1-one

Structural Information

Molecular Formula

C₈H₆F₂O₂

SMILES

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

InChI

InChI=1S/C8H6F2O2/c1-4(11)5-2-8(12)7(10)3-6(5)9/h2-3,12H,1H3

InChIKey

XLXMBGLKANHZPM-UHFFFAOYSA-N

Compound name

1-(2,4-difluoro-5-hydroxyphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 172.03358 Da
Monoisotopic Mass: 1.5
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]+	173.04086	135.2
[M+Na]+	195.02280	146.4
[M+NH4]+	190.06740	141.8
[M+K]+	210.99674	141.3
[M-H]-	171.02630	133.6
[M+Na-2H]-	193.00825	139.7
[M]+	172.03303	136.0
[M]-	172.03413	136.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe