CID 193499

3-phenylpyridazine

Structural Information

Molecular Formula

C₁₀H₈N₂

SMILES

C1=CC=C(C=C1)C2=NN=CC=C2

InChI

InChI=1S/C10H8N2/c1-2-5-9(6-3-1)10-7-4-8-11-12-10/h1-8H

InChIKey

XWSSUYOEOWLFEI-UHFFFAOYSA-N

Compound name

3-phenylpyridazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 4341
Patents: 156.06874 Da
Monoisotopic Mass: 1.5
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]+	157.07602	131.4
[M+Na]+	179.05796	147.8
[M+NH4]+	174.10256	141.1
[M+K]+	195.03190	139.4
[M-H]-	155.06146	135.9
[M+Na-2H]-	177.04341	143.4
[M]+	156.06819	135.2
[M]-	156.06929	135.2

Literature stripe

literature stripe

Patent stripe

patents stripe