CID 13250069

1-(difluoromethyl)-1h-imidazole

Structural Information

Molecular Formula

C₄H₄F₂N₂

SMILES

C1=CN(C=N1)C(F)F

InChI

InChI=1S/C4H4F2N2/c5-4(6)8-2-1-7-3-8/h1-4H

InChIKey

QQJXCDUJHKLIBD-UHFFFAOYSA-N

Compound name

1-(difluoromethyl)imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 118.034256 Da
Monoisotopic Mass: 0.9
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]+	119.04153	121.1
[M+Na]+	141.02347	130.9
[M+NH4]+	136.06808	128.1
[M+K]+	156.99741	127.7
[M-H]-	117.02698	118.6
[M+Na-2H]-	139.00892	126.2
[M]+	118.03371	121.4
[M]-	118.03480	121.4

Literature stripe

literature stripe

Patent stripe

patents stripe