CID 9214

Biphenylene

Structural Information

Molecular Formula

C₁₂H₈

SMILES

C1=CC2=C3C=CC=CC3=C2C=C1

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: 74780
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]+	153.06988	122.1
[M+Na]+	175.05182	133.9
[M-H]-	151.05532	129.0
[M+NH4]+	170.09642	139.8
[M+K]+	191.02576	132.7
[M+H-H2O]+	135.05986	112.0
[M+HCOO]-	197.06080	148.2
[M+CH3COO]-	211.07645	138.1
[M+Na-2H]-	173.03727	135.9
[M]+	152.06205	135.1
[M]-	152.06315	135.1

Literature stripe

literature stripe

Patent stripe

patents stripe