CID 11217794

77458-30-1

Structural Information

Molecular Formula

C₉H₇ClN₂O

SMILES

C1=CC(=CC=C1N2C=C(C=N2)O)Cl

InChI

InChI=1S/C9H7ClN2O/c10-7-1-3-8(4-2-7)12-6-9(13)5-11-12/h1-6,13H

InChIKey

MJMACUIRWXDBHT-UHFFFAOYSA-N

Compound name

1-(4-chlorophenyl)pyrazol-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 194.02469 Da
Monoisotopic Mass: 2.2
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]+	195.03197	137.2
[M+Na]+	217.01391	148.1
[M-H]-	193.01741	140.5
[M+NH4]+	212.05851	156.1
[M+K]+	232.98785	143.1
[M+H-H2O]+	177.02195	130.2
[M+HCOO]-	239.02289	155.4
[M+CH3COO]-	253.03854	150.8
[M+Na-2H]-	214.99936	142.9
[M]+	194.02414	138.5
[M]-	194.02524	138.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe