CID 45480224

1056050-42-0

Structural Information

Molecular Formula

C₁₂H₁₁FN₂O

SMILES

CC1=CN(C=N1)C2=C(C=C(C=C2)C(=O)C)F

InChI

InChI=1S/C12H11FN2O/c1-8-6-15(7-14-8)12-4-3-10(9(2)16)5-11(12)13/h3-7H,1-2H3

InChIKey

YNGNQAPHYIQGAV-UHFFFAOYSA-N

Compound name

1-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 218.08554 Da
Monoisotopic Mass: 1.9
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	145.1
[M+Na]+	241.074758	155.5
[M-H]-	217.078264	148.9
[M+NH4]+	236.119363	163.1
[M+K]+	257.048698	151.9
[M+H-H2O]+	201.082800	136.5
[M+HCOO]-	263.083741	166.8
[M+CH3COO]-	277.099391	189.4
[M+Na-2H]-	239.060206	147.8
[M]+	218.08499142	145.6
[M]-	218.08608858	145.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe