CID 68283156

1,4-dichloro-2-fluoro-5-iodobenzene

Structural Information

Molecular Formula

C₆H₂Cl₂FI

SMILES

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

InChI

InChI=1S/C6H2Cl2FI/c7-3-2-6(10)4(8)1-5(3)9/h1-2H

InChIKey

VHQHSWOWIPLDQR-UHFFFAOYSA-N

Compound name

1,4-dichloro-2-fluoro-5-iodobenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 289.85623 Da
Monoisotopic Mass: 3.9
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]+	290.86351	129.0
[M+Na]+	312.84545	134.2
[M-H]-	288.84895	124.8
[M+NH4]+	307.89005	146.0
[M+K]+	328.81939	134.9
[M+H-H2O]+	272.85349	121.8
[M+HCOO]-	334.85443	139.2
[M+CH3COO]-	348.87008	188.5
[M+Na-2H]-	310.83090	123.5
[M]+	289.85568	128.5
[M]-	289.85678	128.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe