CID 3056423

73771-51-4

Structural Information

Molecular Formula
C14H10O5
SMILES
COC1=C2C(=C3C(=COC(O3)C4=CC=CC=C4)O1)O2
InChI
InChI=1S/C14H10O5/c1-15-14-12-11(18-12)10-9(17-14)7-16-13(19-10)8-5-3-2-4-6-8/h2-7,13H,1H3
InChIKey
WNAICBLIPNPBMG-UHFFFAOYSA-N
Compound name
5-methoxy-10-phenyl-3,6,9,11-tetraoxatricyclo[5.4.0.02,4]undeca-1,4,7-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.05283 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.06011 157.4
[M+Na]+ 281.04205 175.2
[M+NH4]+ 276.08665 167.2
[M+K]+ 297.01599 170.5
[M-H]- 257.04555 174.0
[M+Na-2H]- 279.02750 165.5
[M]+ 258.05228 166.2
[M]- 258.05338 166.2
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.