CID 87756

4-chloro-2-(1h-pyrazol-3-yl)phenol

Structural Information

Molecular Formula

C₉H₇ClN₂O

SMILES

C1=CC(=C(C=C1Cl)C2=CC=NN2)O

InChI

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

InChIKey

DMGLUMYOLOAXJY-UHFFFAOYSA-N

Compound name

4-chloro-2-(1H-pyrazol-5-yl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 49
Patents: 194.02469 Da
Monoisotopic Mass: 2.1
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]+	195.03197	138.1
[M+Na]+	217.01391	152.5
[M+NH4]+	212.05851	146.5
[M+K]+	232.98785	147.4
[M-H]-	193.01741	140.2
[M+Na-2H]-	214.99936	146.2
[M]+	194.02414	140.9
[M]-	194.02524	140.9

Literature stripe

literature stripe

Patent stripe

patents stripe