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 154.8
[M+Na]+ 281.04205 166.8
[M-H]- 257.04555 167.2
[M+NH4]+ 276.08665 164.1
[M+K]+ 297.01599 169.2
[M+H-H2O]+ 241.05009 146.9
[M+HCOO]- 303.05103 172.7
[M+CH3COO]- 317.06668 168.5
[M+Na-2H]- 279.02750 166.0
[M]+ 258.05228 164.3
[M]- 258.05338 164.3
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.