CID 121601689

2-iodo-4-(trifluoromethyl)oxazole

Structural Information

Molecular Formula

SMILES

C1=C(N=C(O1)I)C(F)(F)F

InChI

InChI=1S/C4HF3INO/c5-4(6,7)2-1-10-3(8)9-2/h1H

InChIKey

LKVJAKAVEAHRFR-UHFFFAOYSA-N

Compound name

2-iodo-4-(trifluoromethyl)-1,3-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 262.9055 Da
Monoisotopic Mass: 1.9
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]+	263.912776	128.4
[M+Na]+	285.894718	132.1
[M-H]-	261.898224	121.5
[M+NH4]+	280.939323	143.9
[M+K]+	301.868658	137.6
[M+H-H2O]+	245.902760	117.6
[M+HCOO]-	307.903701	143.6
[M+CH3COO]-	321.919351	181.9
[M+Na-2H]-	283.880166	123.9
[M]+	262.90495142	123.8
[M]-	262.90604858	123.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe