CID 3333137

Benzo[b]biphenylene

Structural Information

Molecular Formula
C16H10
SMILES
C1=CC=C2C=C3C4=CC=CC=C4C3=CC2=C1
InChI
InChI=1S/C16H10/c1-2-6-12-10-16-14-8-4-3-7-13(14)15(16)9-11(12)5-1/h1-10H
InChIKey
QGSZQJATRLETJZ-UHFFFAOYSA-N
Compound name
tetracyclo[8.6.0.03,8.011,16]hexadeca-1,3,5,7,9,11,13,15-octaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

202.07825 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.08553 136.2
[M+Na]+ 225.06747 146.4
[M-H]- 201.07097 143.2
[M+NH4]+ 220.11207 152.5
[M+K]+ 241.04141 144.0
[M+H-H2O]+ 185.07551 125.0
[M+HCOO]- 247.07645 157.9
[M+CH3COO]- 261.09210 150.3
[M+Na-2H]- 223.05292 148.0
[M]+ 202.07770 146.6
[M]- 202.07880 146.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.