CID 10943668

203251-37-0

Structural Information

Molecular Formula

C₈H₅Cl₂FO

SMILES

C1=CC(=C(C=C1C(=O)CCl)Cl)F

InChI

InChI=1S/C8H5Cl2FO/c9-4-8(12)5-1-2-7(11)6(10)3-5/h1-3H,4H2

InChIKey

AASJJWQLIAAUBM-UHFFFAOYSA-N

Compound name

2-chloro-1-(3-chloro-4-fluorophenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
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	133.3
[M+Na]+	228.95937	144.2
[M-H]-	204.96287	135.5
[M+NH4]+	224.00397	153.9
[M+K]+	244.93331	139.0
[M+H-H2O]+	188.96741	129.1
[M+HCOO]-	250.96835	147.0
[M+CH3COO]-	264.98400	183.9
[M+Na-2H]-	226.94482	137.9
[M]+	205.96960	135.7
[M]-	205.97070	135.7

Literature stripe

literature stripe

Patent stripe

patents stripe