CID 60660147

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

Structural Information

Molecular Formula

C₁₂H₁₁FN₂O

SMILES

CN1C=CN=C1C(=O)CC2=CC=C(C=C2)F

InChI

InChI=1S/C12H11FN2O/c1-15-7-6-14-12(15)11(16)8-9-2-4-10(13)5-3-9/h2-7H,8H2,1H3

InChIKey

ZVCYEGMPLPKWSF-UHFFFAOYSA-N

Compound name

2-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 218.08554 Da
Monoisotopic Mass: 1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	219.092816	145.5
[M+Na]+	241.074758	154.9
[M-H]-	217.078264	148.8
[M+NH4]+	236.119363	163.1
[M+K]+	257.048698	151.3
[M+H-H2O]+	201.082800	136.6
[M+HCOO]-	263.083741	167.1
[M+CH3COO]-	277.099391	188.2
[M+Na-2H]-	239.060206	148.9
[M]+	218.08499142	145.6
[M]-	218.08608858	145.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.