CID 155978463

4-iodo-1-(trifluoromethyl)-1h-imidazole

Structural Information

Molecular Formula

C₄H₂F₃IN₂

SMILES

C1=C(N=CN1C(F)(F)F)I

InChI

InChI=1S/C4H2F3IN2/c5-4(6,7)10-1-3(8)9-2-10/h1-2H

InChIKey

SVPZBCYSQMRAEO-UHFFFAOYSA-N

Compound name

4-iodo-1-(trifluoromethyl)imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 261.92148 Da
Monoisotopic Mass: 1.8
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]+	262.92876	126.2
[M+Na]+	284.91070	129.9
[M-H]-	260.91420	117.4
[M+NH4]+	279.95530	141.7
[M+K]+	300.88464	134.0
[M+H-H2O]+	244.91874	114.4
[M+HCOO]-	306.91968	140.8
[M+CH3COO]-	320.93533	182.7
[M+Na-2H]-	282.89615	121.0
[M]+	261.92093	120.3
[M]-	261.92203	120.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.