CID 108184

111001-48-0

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

5
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 162.4
[M+Na]+ 301.08352 181.0
[M+NH4]+ 296.12812 173.8
[M+K]+ 317.05746 173.7
[M-H]- 277.08702 175.1
[M+Na-2H]- 299.06897 170.0
[M]+ 278.09375 170.2
[M]- 278.09485 170.2
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

patents stripe