CID 118381

33008-67-2

Structural Information

Molecular Formula

C₁₀H₉Cl₂N₃O₂

SMILES

COC1=C(C(=CC(=C1)Cl)Cl)N2C(=O)CC(=N2)N

InChI

InChI=1S/C10H9Cl2N3O2/c1-17-7-3-5(11)2-6(12)10(7)15-9(16)4-8(13)14-15/h2-3H,4H2,1H3,(H2,13,14)

InChIKey

OHOJALQXKVUGNB-UHFFFAOYSA-N

Compound name

5-amino-2-(2,4-dichloro-6-methoxyphenyl)-4H-pyrazol-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 273.00717 Da
Monoisotopic Mass: 1.6
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]+	274.014446	156.8
[M+Na]+	295.996388	168.8
[M-H]-	271.999894	160.8
[M+NH4]+	291.040993	173.6
[M+K]+	311.970328	163.0
[M+H-H2O]+	256.004430	150.1
[M+HCOO]-	318.005371	170.2
[M+CH3COO]-	332.021021	197.3
[M+Na-2H]-	293.981836	157.8
[M]+	273.00662142	160.0
[M]-	273.00771858	160.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe