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: 1833
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]+	145.076016	127.3
[M+Na]+	167.057958	135.8
[M-H]-	143.061464	130.2
[M+NH4]+	162.102563	146.9
[M+K]+	183.031898	132.2
[M+H-H2O]+	127.066000	119.8
[M+HCOO]-	189.066941	150.1
[M+CH3COO]-	203.082591	140.9
[M+Na-2H]-	165.043406	135.2
[M]+	144.06819142	124.6
[M]-	144.06928858	124.6

Literature stripe

literature stripe

Patent stripe

patents stripe