CID 158512030

2-(1,1-difluoroethyl)-1h-imidazole

Structural Information

Molecular Formula
C5H6F2N2
SMILES
CC(C1=NC=CN1)(F)F
InChI
InChI=1S/C5H6F2N2/c1-5(6,7)4-8-2-3-9-4/h2-3H,1H3,(H,8,9)
InChIKey
HLEHVMKAGWCVOZ-UHFFFAOYSA-N
Compound name
2-(1,1-difluoroethyl)-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

132.04991 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.05719 122.1
[M+Na]+ 155.03913 131.2
[M-H]- 131.04263 119.4
[M+NH4]+ 150.08373 142.5
[M+K]+ 171.01307 129.2
[M+H-H2O]+ 115.04717 114.5
[M+HCOO]- 177.04811 140.9
[M+CH3COO]- 191.06376 167.9
[M+Na-2H]- 153.02458 129.0
[M]+ 132.04936 117.6
[M]- 132.05046 117.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe