CID 139106

4-phenyl-1h-pyrazole

Structural Information

Molecular Formula

C₉H₈N₂

SMILES

C1=CC=C(C=C1)C2=CNN=C2

InChI

InChI=1S/C9H8N2/c1-2-4-8(5-3-1)9-6-10-11-7-9/h1-7H,(H,10,11)

InChIKey

GPGKNEKFDGOXPO-UHFFFAOYSA-N

Compound name

4-phenyl-1H-pyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 11
References: 1014
Patents: 144.06874 Da
Monoisotopic Mass: 1.8
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]+	145.07602	129.0
[M+Na]+	167.05796	143.0
[M+NH4]+	162.10256	138.2
[M+K]+	183.03190	137.5
[M-H]-	143.06146	132.1
[M+Na-2H]-	165.04341	138.7
[M]+	144.06819	131.8
[M]-	144.06929	131.8

Literature stripe

literature stripe

Patent stripe

patents stripe