CID 37456

4-oxahexacyclo[11.6.2.02,8.03,5.010,20.017,21]henicosa-1(20),2(8),6,9,11,13(21),14,16,18-nonaene

Structural Information

Molecular Formula
C20H12O
SMILES
C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4C6C(O6)C=C5)C=C2
InChI
InChI=1S/C20H12O/c1-2-11-4-5-13-10-14-7-9-16-20(21-16)19(14)15-8-6-12(3-1)17(11)18(13)15/h1-10,16,20H
InChIKey
GOEJUYABKOTLJA-UHFFFAOYSA-N
Compound name
4-oxahexacyclo[11.6.2.02,8.03,5.010,20.017,21]henicosa-1(20),2(8),6,9,11,13(21),14,16,18-nonaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.0888 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.09608 156.5
[M+Na]+ 291.07802 169.1
[M-H]- 267.08152 164.5
[M+NH4]+ 286.12262 172.1
[M+K]+ 307.05196 163.4
[M+H-H2O]+ 251.08606 147.2
[M+HCOO]- 313.08700 173.2
[M+CH3COO]- 327.10265 168.9
[M+Na-2H]- 289.06347 168.8
[M]+ 268.08825 163.1
[M]- 268.08935 163.1
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.