CID 9214

Biphenylene

Structural Information

Molecular Formula

C₁₂H₈

SMILES

C1=CC=C2C(=C1)C3=CC=CC=C23

InChI

InChI=1S/C12H8/c1-2-6-10-9(5-1)11-7-3-4-8-12(10)11/h1-8H

InChIKey

IFVTZJHWGZSXFD-UHFFFAOYSA-N

Compound name

biphenylene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 55
References: 80108
Patents: 152.0626 Da
Monoisotopic Mass: 2.3
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]+	153.069876	123.0
[M+Na]+	175.051818	132.7
[M-H]-	151.055324	129.2
[M+NH4]+	170.096423	140.4
[M+K]+	191.025758	131.9
[M+H-H2O]+	135.059860	112.9
[M+HCOO]-	197.060801	146.3
[M+CH3COO]-	211.076451	138.0
[M+Na-2H]-	173.037266	134.9
[M]+	152.06205142	133.2
[M]-	152.06314858	133.2

Literature stripe

literature stripe

Patent stripe

patents stripe