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
1
Annotation Hits

55
References

27355
Patents

152.0626 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.06988 118.5
[M+Na]+ 175.05182 132.5
[M+NH4]+ 170.09642 126.6
[M+K]+ 191.02576 125.4
[M-H]- 151.05532 121.1
[M+Na-2H]- 173.03727 128.0
[M]+ 152.06205 120.6
[M]- 152.06315 120.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe