CID 12644621

2-(iodomethyl)-5-phenyloxolane

Structural Information

Molecular Formula

C₁₁H₁₃IO

SMILES

C1CC(OC1CI)C2=CC=CC=C2

InChI

InChI=1S/C11H13IO/c12-8-10-6-7-11(13-10)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2

InChIKey

LXZBQHGUWKJHPZ-UHFFFAOYSA-N

Compound name

2-(iodomethyl)-5-phenyloxolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 288.0011 Da
Monoisotopic Mass: 3.3
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]+	289.00838	147.4
[M+Na]+	310.99032	147.0
[M-H]-	286.99382	146.9
[M+NH4]+	306.03492	162.7
[M+K]+	326.96426	151.3
[M+H-H2O]+	270.99836	137.8
[M+HCOO]-	332.99930	164.7
[M+CH3COO]-	347.01495	188.2
[M+Na-2H]-	308.97577	140.3
[M]+	288.00055	143.3
[M]-	288.00165	143.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe