CID 86178905

Dtxsid501044084

Structural Information

Molecular Formula
C18H14O
SMILES
C1CC23C(=CC1=C4C2=COC4)C=CC5=CC=CC=C35
InChI
InChI=1S/C18H14O/c1-2-4-16-12(3-1)5-6-14-9-13-7-8-18(14,16)17-11-19-10-15(13)17/h1-6,9,11H,7-8,10H2
InChIKey
BEYWOZAROOHKEC-UHFFFAOYSA-N
Compound name
15-oxapentacyclo[10.5.2.01,10.02,7.013,17]nonadeca-2,4,6,8,10,12,16-heptaene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

246.10446 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.111736 147.2
[M+Na]+ 269.093678 154.5
[M-H]- 245.097184 151.7
[M+NH4]+ 264.138283 172.2
[M+K]+ 285.067618 149.6
[M+H-H2O]+ 229.101720 138.7
[M+HCOO]- 291.102661 160.4
[M+CH3COO]- 305.118311 159.1
[M+Na-2H]- 267.079126 158.7
[M]+ 246.10391142 149.8
[M]- 246.10500858 149.8
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.