CID 11845181

200573-05-3

Structural Information

Molecular Formula

C₁₀H₁₀INO

SMILES

C1C(OC(=N1)C2=CC=CC=C2)CI

InChI

InChI=1S/C10H10INO/c11-6-9-7-12-10(13-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2

InChIKey

YMHOTMGSGXOMNO-UHFFFAOYSA-N

Compound name

5-(iodomethyl)-2-phenyl-4,5-dihydro-1,3-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 286.9807 Da
Monoisotopic Mass: 2.6
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]+	287.98798	144.1
[M+Na]+	309.96992	145.1
[M-H]-	285.97342	142.7
[M+NH4]+	305.01452	158.2
[M+K]+	325.94386	149.4
[M+H-H2O]+	269.97796	133.5
[M+HCOO]-	331.97890	161.8
[M+CH3COO]-	345.99455	187.5
[M+Na-2H]-	307.95537	138.5
[M]+	286.98015	141.5
[M]-	286.98125	141.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe