CID 2734195

1-ethyl-2-iodo-3-methylbenzene

Structural Information

Molecular Formula

C₉H₁₁I

SMILES

CCC1=CC=CC(=C1I)C

InChI

InChI=1S/C9H11I/c1-3-8-6-4-5-7(2)9(8)10/h4-6H,3H2,1-2H3

InChIKey

PCSPENCTMKMGFE-UHFFFAOYSA-N

Compound name

1-ethyl-2-iodo-3-methylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 107
Patents: 245.99055 Da
Monoisotopic Mass: 3.7
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]+	246.99783	135.7
[M+Na]+	268.97977	142.3
[M+NH4]+	264.02437	141.2
[M+K]+	284.95371	138.1
[M-H]-	244.98327	132.8
[M+Na-2H]-	266.96522	131.1
[M]+	245.99000	134.9
[M]-	245.99110	134.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe