CID 136574245

1-(4-hydroxyphenyl)-1h-pyrazol-3-ol hydrobromide

Structural Information

Molecular Formula

C₉H₈N₂O₂

SMILES

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

InChI

InChI=1S/C9H8N2O2/c12-8-3-1-7(2-4-8)11-6-5-9(13)10-11/h1-6,12H,(H,10,13)

InChIKey

QIGKXZHYPZVYGM-UHFFFAOYSA-N

Compound name

2-(4-hydroxyphenyl)-1H-pyrazol-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 176.05858 Da
Monoisotopic Mass: 1.1
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]+	177.06586	135.5
[M+Na]+	199.04780	148.7
[M+NH4]+	194.09240	142.8
[M+K]+	215.02174	144.9
[M-H]-	175.05130	136.9
[M+Na-2H]-	197.03325	142.9
[M]+	176.05803	137.5
[M]-	176.05913	137.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe