CID 6481672

1-(4-fluorophenyl)-2-(1h-imidazol-2-yl)ethanone

Structural Information

Molecular Formula
C11H9FN2O
SMILES
C1=CC(=CC=C1C(=O)CC2=NC=CN2)F
InChI
InChI=1S/C11H9FN2O/c12-9-3-1-8(2-4-9)10(15)7-11-13-5-6-14-11/h1-6H,7H2,(H,13,14)
InChIKey
DBUNPJNOZPSMQB-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-2-(1H-imidazol-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

204.06989 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.07717 141.6
[M+Na]+ 227.05911 150.0
[M-H]- 203.06261 143.3
[M+NH4]+ 222.10371 158.7
[M+K]+ 243.03305 145.8
[M+H-H2O]+ 187.06715 132.8
[M+HCOO]- 249.06809 162.0
[M+CH3COO]- 263.08374 181.5
[M+Na-2H]- 225.04456 145.8
[M]+ 204.06934 139.0
[M]- 204.07044 139.0
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