CID 5011391

30148-26-6

Structural Information

Molecular Formula

C₁₁H₉ClN₂O

SMILES

CN1C=CN=C1C(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C11H9ClN2O/c1-14-7-6-13-11(14)10(15)8-4-2-3-5-9(8)12/h2-7H,1H3

InChIKey

XUOHNXMVWFHIDF-UHFFFAOYSA-N

Compound name

(2-chlorophenyl)-(1-methylimidazol-2-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 0
Patents: 220.04034 Da
Monoisotopic Mass: 2.3
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]+	221.04762	145.3
[M+Na]+	243.02956	160.2
[M+NH4]+	238.07416	153.8
[M+K]+	259.00350	154.7
[M-H]-	219.03306	148.0
[M+Na-2H]-	241.01501	153.7
[M]+	220.03979	148.5
[M]-	220.04089	148.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.