CID 43125009

Akos005201097

Structural Information

Molecular Formula

SMILES

COC1=C(C=C(C=C1)I)CCl

InChI

InChI=1S/C8H8ClIO/c1-11-8-3-2-7(10)4-6(8)5-9/h2-4H,5H2,1H3

InChIKey

KHFWVVGLZDEMKS-UHFFFAOYSA-N

Compound name

2-(chloromethyl)-4-iodo-1-methoxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 281.93085 Da
Monoisotopic Mass: 2.9
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]+	282.93813	139.1
[M+Na]+	304.92007	146.3
[M+NH4]+	299.96467	144.5
[M+K]+	320.89401	142.0
[M-H]-	280.92357	135.8
[M+Na-2H]-	302.90552	134.6
[M]+	281.93030	138.6
[M]-	281.93140	138.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.