CID 70769

1-phenylpyrazole

Structural Information

Molecular Formula

C₉H₈N₂

SMILES

C1=CC=C(C=C1)N2C=CC=N2

InChI

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

InChIKey

WITMXBRCQWOZPX-UHFFFAOYSA-N

Compound name

1-phenylpyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 21
References: 18604
Patents: 144.06874 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]+	145.07602	126.8
[M+Na]+	167.05796	135.6
[M-H]-	143.06146	131.0
[M+NH4]+	162.10256	147.0
[M+K]+	183.03190	133.0
[M+H-H2O]+	127.06600	118.9
[M+HCOO]-	189.06694	151.1
[M+CH3COO]-	203.08259	141.1
[M+Na-2H]-	165.04341	135.1
[M]+	144.06819	125.9
[M]-	144.06929	125.9

Literature stripe

literature stripe

Patent stripe

patents stripe