CID 5151279

1-(4-fluorophenyl)-2-(1h-imidazol-1-yl)ethan-1-one

Structural Information

Molecular Formula
C11H9FN2O
SMILES
C1=CC(=CC=C1C(=O)CN2C=CN=C2)F
InChI
InChI=1S/C11H9FN2O/c12-10-3-1-9(2-4-10)11(15)7-14-6-5-13-8-14/h1-6,8H,7H2
InChIKey
WUHGMWIWIMMDKW-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-2-imidazol-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

45
Patents

204.06989 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.077166 141.1
[M+Na]+ 227.059108 149.9
[M-H]- 203.062614 144.1
[M+NH4]+ 222.103713 159.0
[M+K]+ 243.033048 146.6
[M+H-H2O]+ 187.067150 132.0
[M+HCOO]- 249.068091 163.0
[M+CH3COO]- 263.083741 184.1
[M+Na-2H]- 225.044556 145.7
[M]+ 204.06934142 140.4
[M]- 204.07043858 140.4
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