CID 47091279

1241139-57-0

Structural Information

Molecular Formula

C₁₂H₁₁ClN₂O₂

SMILES

CN1C(=C(N=C1OCC2=CC=CC=C2)Cl)C=O

InChI

InChI=1S/C12H11ClN2O2/c1-15-10(7-16)11(13)14-12(15)17-8-9-5-3-2-4-6-9/h2-7H,8H2,1H3

InChIKey

WALQONFPPBCULZ-UHFFFAOYSA-N

Compound name

5-chloro-3-methyl-2-phenylmethoxyimidazole-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 250.0509 Da
Monoisotopic Mass: 2.6
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]+	251.058176	152.5
[M+Na]+	273.040118	163.6
[M-H]-	249.043624	157.1
[M+NH4]+	268.084723	170.0
[M+K]+	289.014058	158.8
[M+H-H2O]+	233.048160	144.7
[M+HCOO]-	295.049101	171.6
[M+CH3COO]-	309.064751	191.6
[M+Na-2H]-	271.025566	156.3
[M]+	250.05035142	157.8
[M]-	250.05144858	157.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.