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

55
Patents

118.034256 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.04153 116.2
[M+Na]+ 141.02347 125.5
[M-H]- 117.02698 114.8
[M+NH4]+ 136.06808 137.7
[M+K]+ 156.99741 124.8
[M+H-H2O]+ 101.03152 107.9
[M+HCOO]- 163.03246 137.4
[M+CH3COO]- 177.04811 168.2
[M+Na-2H]- 139.00892 122.4
[M]+ 118.03371 113.2
[M]- 118.03480 113.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe