CID 67492

256-81-5

Structural Information

Molecular Formula
C15H12
SMILES
C1C2=CC=CC=C2C=CC3=CC=CC=C31
InChI
InChI=1S/C15H12/c1-3-7-14-11-15-8-4-2-6-13(15)10-9-12(14)5-1/h1-10H,11H2
InChIKey
QPJORFLSOJAUNL-UHFFFAOYSA-N
Compound name
tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1954
Patents

192.0939 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.10118 138.4
[M+Na]+ 215.08312 146.0
[M-H]- 191.08662 145.2
[M+NH4]+ 210.12772 159.0
[M+K]+ 231.05706 145.0
[M+H-H2O]+ 175.09116 134.7
[M+HCOO]- 237.09210 160.3
[M+CH3COO]- 251.10775 151.8
[M+Na-2H]- 213.06857 148.6
[M]+ 192.09335 135.5
[M]- 192.09445 135.5
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.