CID 140833

1-(4-fluorophenyl)imidazole

Structural Information

Molecular Formula
C9H7FN2
SMILES
C1=CC(=CC=C1N2C=CN=C2)F
InChI
InChI=1S/C9H7FN2/c10-8-1-3-9(4-2-8)12-6-5-11-7-12/h1-7H
InChIKey
KKKSMWMXKUAZHK-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

283
Patents

162.05933 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.06661 129.1
[M+Na]+ 185.04855 139.0
[M-H]- 161.05205 132.3
[M+NH4]+ 180.09315 148.9
[M+K]+ 201.02249 135.8
[M+H-H2O]+ 145.05659 120.5
[M+HCOO]- 207.05753 152.3
[M+CH3COO]- 221.07318 143.2
[M+Na-2H]- 183.03400 136.1
[M]+ 162.05878 127.6
[M]- 162.05988 127.6
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