CID 53484251

653-13-4

Structural Information

Molecular Formula

C₈H₅ClF₂O

SMILES

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

InChI

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

InChIKey

LKUYWXJFPNOAFZ-UHFFFAOYSA-N

Compound name

1-(2-chlorophenyl)-2,2-difluoroethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 189.9997 Da
Monoisotopic Mass: 2.9
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	134.2
[M+Na]+	212.98892	146.0
[M+NH4]+	208.03352	141.8
[M+K]+	228.96286	140.0
[M-H]-	188.99242	133.3
[M+Na-2H]-	210.97437	140.1
[M]+	189.99915	135.7
[M]-	190.00025	135.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.