CID 727250

704-10-9

Structural Information

Molecular Formula

C₈H₅Cl₂FO

SMILES

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

InChI

InChI=1S/C8H5Cl2FO/c1-4(12)5-2-8(11)7(10)3-6(5)9/h2-3H,1H3

InChIKey

FAKJFAMIABOKBW-UHFFFAOYSA-N

Compound name

1-(2,4-dichloro-5-fluorophenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 320
Patents: 205.97015 Da
Monoisotopic Mass: 3.0
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]+	206.97743	132.4
[M+Na]+	228.95937	144.2
[M-H]-	204.96287	135.0
[M+NH4]+	224.00397	153.4
[M+K]+	244.93331	139.1
[M+H-H2O]+	188.96741	128.5
[M+HCOO]-	250.96835	146.1
[M+CH3COO]-	264.98400	185.0
[M+Na-2H]-	226.94482	136.4
[M]+	205.96960	135.2
[M]-	205.97070	135.2

Literature stripe

literature stripe

Patent stripe

patents stripe