CID 11609003

1-ethoxy-2-(2-iodoethoxy)benzene

Structural Information

Molecular Formula

C₁₀H₁₃IO₂

SMILES

CCOC1=CC=CC=C1OCCI

InChI

InChI=1S/C10H13IO2/c1-2-12-9-5-3-4-6-10(9)13-8-7-11/h3-6H,2,7-8H2,1H3

InChIKey

LJSCVNJEBIWYLD-UHFFFAOYSA-N

Compound name

1-ethoxy-2-(2-iodoethoxy)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 291.99603 Da
Monoisotopic Mass: 3.2
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]+	293.00331	150.9
[M+Na]+	314.98525	151.3
[M-H]-	290.98875	147.3
[M+NH4]+	310.02985	165.9
[M+K]+	330.95919	155.7
[M+H-H2O]+	274.99329	141.1
[M+HCOO]-	336.99423	170.0
[M+CH3COO]-	351.00988	190.8
[M+Na-2H]-	312.97070	144.9
[M]+	291.99548	151.6
[M]-	291.99658	151.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe