CID 154699641

Ns00117392

Structural Information

Molecular Formula
C20H12O
SMILES
C1=CC=C2C3=C4C(=CC2=C1)C=CC5=C4C(=CC6C5O6)C=C3
InChI
InChI=1S/C20H12O/c1-2-4-14-11(3-1)9-12-6-8-16-19-13(10-17-20(16)21-17)5-7-15(14)18(12)19/h1-10,17,20H
InChIKey
HIWUMYIKMBIYMX-UHFFFAOYSA-N
Compound name
14-oxahexacyclo[10.7.2.02,7.09,20.013,15.017,21]henicosa-1(20),2,4,6,8,10,12(21),16,18-nonaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.0888 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.096076 156.6
[M+Na]+ 291.078018 170.1
[M-H]- 267.081524 165.0
[M+NH4]+ 286.122623 172.3
[M+K]+ 307.051958 164.3
[M+H-H2O]+ 251.086060 147.3
[M+HCOO]- 313.087001 174.6
[M+CH3COO]- 327.102651 169.4
[M+Na-2H]- 289.063466 169.8
[M]+ 268.08825142 164.5
[M]- 268.08934858 164.5
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

No patent data available for this compound.