CID 87067629

1253787-55-1

Structural Information

Molecular Formula

C₈H₄Cl₂F₂O

SMILES

C1=C(C=C(C=C1Cl)Cl)C(=O)C(F)F

InChI

InChI=1S/C8H4Cl2F2O/c9-5-1-4(2-6(10)3-5)7(13)8(11)12/h1-3,8H

InChIKey

GIFAXPJNNAPIQA-UHFFFAOYSA-N

Compound name

1-(3,5-dichlorophenyl)-2,2-difluoroethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 223.96072 Da
Monoisotopic Mass: 3.7
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]+	224.96800	134.5
[M+Na]+	246.94994	145.2
[M-H]-	222.95344	135.4
[M+NH4]+	241.99454	154.3
[M+K]+	262.92388	140.0
[M+H-H2O]+	206.95798	129.5
[M+HCOO]-	268.95892	146.3
[M+CH3COO]-	282.97457	187.4
[M+Na-2H]-	244.93539	137.4
[M]+	223.96017	135.3
[M]-	223.96127	135.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe