CID 20373973

4-(2,4-difluorophenyl)-1h-imidazole

Structural Information

Molecular Formula
C9H6F2N2
SMILES
C1=CC(=C(C=C1F)F)C2=CN=CN2
InChI
InChI=1S/C9H6F2N2/c10-6-1-2-7(8(11)3-6)9-4-12-5-13-9/h1-5H,(H,12,13)
InChIKey
QPDVKSVOSNHLIA-UHFFFAOYSA-N
Compound name
5-(2,4-difluorophenyl)-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

180.04991 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.057186 132.1
[M+Na]+ 203.039128 142.5
[M-H]- 179.042634 132.9
[M+NH4]+ 198.083733 150.7
[M+K]+ 219.013068 137.8
[M+H-H2O]+ 163.047170 123.0
[M+HCOO]- 225.048111 152.7
[M+CH3COO]- 239.063761 145.2
[M+Na-2H]- 201.024576 137.2
[M]+ 180.04936142 128.0
[M]- 180.05045858 128.0
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