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
2
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]+ 193.101176 138.4
[M+Na]+ 215.083118 146.0
[M-H]- 191.086624 145.2
[M+NH4]+ 210.127723 159.0
[M+K]+ 231.057058 145.0
[M+H-H2O]+ 175.091160 134.7
[M+HCOO]- 237.092101 160.3
[M+CH3COO]- 251.107751 151.8
[M+Na-2H]- 213.068566 148.6
[M]+ 192.09335142 135.5
[M]- 192.09444858 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

literature stripe

Patent stripe

patents stripe