CID 688180

1-(2,3,5,6-tetrafluorophenyl)imidazole

Structural Information

Molecular Formula
C9H4F4N2
SMILES
C1=CN(C=N1)C2=C(C(=CC(=C2F)F)F)F
InChI
InChI=1S/C9H4F4N2/c10-5-3-6(11)8(13)9(7(5)12)15-2-1-14-4-15/h1-4H
InChIKey
LMGDDTFQPQTOIU-UHFFFAOYSA-N
Compound name
1-(2,3,5,6-tetrafluorophenyl)imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

216.03107 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.03835 136.6
[M+Na]+ 239.02029 149.3
[M-H]- 215.02379 136.8
[M+NH4]+ 234.06489 154.8
[M+K]+ 254.99423 144.6
[M+H-H2O]+ 199.02833 125.8
[M+HCOO]- 261.02927 156.5
[M+CH3COO]- 275.04492 187.9
[M+Na-2H]- 237.00574 139.6
[M]+ 216.03052 132.9
[M]- 216.03162 132.9
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