CID 108184

Bcphde

Structural Information

Molecular Formula
C18H14O3
SMILES
C1=CC=C2C(=C1)C=CC3=C2C4=C(C=C3)C(C(C5C4O5)O)O
InChI
InChI=1S/C18H14O3/c19-15-12-8-7-10-6-5-9-3-1-2-4-11(9)13(10)14(12)17-18(21-17)16(15)20/h1-8,15-20H
InChIKey
QGMAOLZIDYVIDK-UHFFFAOYSA-N
Compound name
4-oxapentacyclo[9.8.0.02,8.03,5.014,19]nonadeca-1(11),2(8),9,12,14,16,18-heptaene-6,7-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

33
References

9
Patents

278.0943 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.10158 157.6
[M+Na]+ 301.08352 170.3
[M-H]- 277.08702 164.2
[M+NH4]+ 296.12812 170.9
[M+K]+ 317.05746 164.8
[M+H-H2O]+ 261.09156 150.6
[M+HCOO]- 323.09250 173.0
[M+CH3COO]- 337.10815 169.6
[M+Na-2H]- 299.06897 167.1
[M]+ 278.09375 162.2
[M]- 278.09485 162.2
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.