CID 123112

1435-48-9

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C6H3Cl2F/c7-4-1-2-6(9)5(8)3-4/h1-3H

InChIKey

BDJZCCWUSOZUQG-UHFFFAOYSA-N

Compound name

2,4-dichloro-1-fluorobenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 921
Patents: 163.95958 Da
Monoisotopic Mass: 3.4
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]+	164.96686	122.6
[M+Na]+	186.94880	138.1
[M+NH4]+	181.99340	132.7
[M+K]+	202.92274	129.9
[M-H]-	162.95230	124.5
[M+Na-2H]-	184.93425	131.2
[M]+	163.95903	126.0
[M]-	163.96013	126.0

Literature stripe

literature stripe

Patent stripe

patents stripe