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

38
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

literature stripe

Patent stripe

patents stripe