CID 70029

Dibenzosuberane

Structural Information

Molecular Formula
C15H14
SMILES
C1CC2=CC=CC=C2CC3=CC=CC=C31
InChI
InChI=1S/C15H14/c1-3-7-14-11-15-8-4-2-6-13(15)10-9-12(14)5-1/h1-8H,9-11H2
InChIKey
PJQCANLCUDUPRF-UHFFFAOYSA-N
Compound name
tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

23
References

6641
Patents

194.10954 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.11682 139.3
[M+Na]+ 217.09876 145.9
[M-H]- 193.10226 145.7
[M+NH4]+ 212.14336 159.7
[M+K]+ 233.07270 144.9
[M+H-H2O]+ 177.10680 135.4
[M+HCOO]- 239.10774 159.8
[M+CH3COO]- 253.12339 152.1
[M+Na-2H]- 215.08421 148.5
[M]+ 194.10899 135.0
[M]- 194.11009 135.0
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