CID 588083

51336-94-8

Structural Information

Molecular Formula

C₈H₅ClF₂O

SMILES

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

InChI

InChI=1S/C8H5ClF2O/c9-4-8(12)6-2-1-5(10)3-7(6)11/h1-3H,4H2

InChIKey

UENGBOCGGKLVJJ-UHFFFAOYSA-N

Compound name

2-chloro-1-(2,4-difluorophenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 4711
Patents: 189.9997 Da
Monoisotopic Mass: 2.4
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]+	191.00698	134.0
[M+Na]+	212.98892	146.6
[M+NH4]+	208.03352	141.8
[M+K]+	228.96286	139.9
[M-H]-	188.99242	133.4
[M+Na-2H]-	210.97437	140.1
[M]+	189.99915	135.8
[M]-	190.00025	135.8

Literature stripe

literature stripe

Patent stripe

patents stripe