CID 85982680

Ns00117022

Structural Information

Molecular Formula
C20H12O
SMILES
C1=CC=C2C3=C4C(=CC2=C1)C=CC5=CC6C(O6)C(=C54)C=C3
InChI
InChI=1S/C20H12O/c1-2-4-14-11(3-1)9-12-5-6-13-10-17-20(21-17)16-8-7-15(14)18(12)19(13)16/h1-10,17,20H
InChIKey
SFZMXWGXHHIMNU-UHFFFAOYSA-N
Compound name
15-oxahexacyclo[10.7.2.02,7.09,20.014,16.017,21]henicosa-1(20),2,4,6,8,10,12,17(21),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]+ 269.09608 156.6
[M+Na]+ 291.07802 170.1
[M-H]- 267.08152 165.0
[M+NH4]+ 286.12262 172.3
[M+K]+ 307.05196 164.3
[M+H-H2O]+ 251.08606 147.3
[M+HCOO]- 313.08700 174.6
[M+CH3COO]- 327.10265 169.4
[M+Na-2H]- 289.06347 169.8
[M]+ 268.08825 164.5
[M]- 268.08935 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.