CID 4457731

30148-18-6

Structural Information

Molecular Formula

C₁₁H₉ClN₂O

SMILES

CN1C=CN=C1C(=O)C2=CC=C(C=C2)Cl

InChI

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

InChIKey

SDDUQCWOAVSVHV-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
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	145.1
[M+Na]+	243.02956	155.5
[M-H]-	219.03306	149.6
[M+NH4]+	238.07416	163.5
[M+K]+	259.00350	150.8
[M+H-H2O]+	203.03760	137.5
[M+HCOO]-	265.03854	163.3
[M+CH3COO]-	279.05419	186.3
[M+Na-2H]-	241.01501	149.0
[M]+	220.03979	147.7
[M]-	220.04089	147.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe