CID 15145017

862588-62-3

Structural Information

Molecular Formula

C₁₀H₉ClN₂O

SMILES

CN1C(=O)CC(=N1)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C10H9ClN2O/c1-13-10(14)6-9(12-13)7-2-4-8(11)5-3-7/h2-5H,6H2,1H3

InChIKey

IGDZNVNGUGOWNM-UHFFFAOYSA-N

Compound name

5-(4-chlorophenyl)-2-methyl-4H-pyrazol-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 208.04034 Da
Monoisotopic Mass: 2.0
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]+	209.04762	142.1
[M+Na]+	231.02956	157.0
[M+NH4]+	226.07416	150.8
[M+K]+	247.00350	151.3
[M-H]-	207.03306	144.9
[M+Na-2H]-	229.01501	150.0
[M]+	208.03979	145.3
[M]-	208.04089	145.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe