CID 131857534

4-chloro-2-ethyl-1-iodobenzene

Structural Information

Molecular Formula

SMILES

CCC1=C(C=CC(=C1)Cl)I

InChI

InChI=1S/C8H8ClI/c1-2-6-5-7(9)3-4-8(6)10/h3-5H,2H2,1H3

InChIKey

WZQVLAYUCSAADY-UHFFFAOYSA-N

Compound name

4-chloro-2-ethyl-1-iodobenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 265.93594 Da
Monoisotopic Mass: 4.0
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]+	266.94322	135.2
[M+Na]+	288.92516	142.8
[M+NH4]+	283.96976	141.1
[M+K]+	304.89910	138.1
[M-H]-	264.92866	132.3
[M+Na-2H]-	286.91061	131.2
[M]+	265.93539	134.9
[M]-	265.93649	134.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe