CID 204865

17072-83-2

Structural Information

Molecular Formula

C₁₄H₁₅ClN₂O₂

SMILES

CCOC1=NN(C(=O)C=C1)C(CCl)C2=CC=CC=C2

InChI

InChI=1S/C14H15ClN2O2/c1-2-19-13-8-9-14(18)17(16-13)12(10-15)11-6-4-3-5-7-11/h3-9,12H,2,10H2,1H3

InChIKey

HAFLZDHJMIBEDY-UHFFFAOYSA-N

Compound name

2-(2-chloro-1-phenylethyl)-6-ethoxypyridazin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 278.0822 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]+	279.089476	159.8
[M+Na]+	301.071418	168.9
[M-H]-	277.074924	163.7
[M+NH4]+	296.116023	173.9
[M+K]+	317.045358	163.8
[M+H-H2O]+	261.079460	151.1
[M+HCOO]-	323.080401	176.4
[M+CH3COO]-	337.096051	197.5
[M+Na-2H]-	299.056866	164.9
[M]+	278.08165142	164.2
[M]-	278.08274858	164.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.