CID 363746

Nsc628937

Structural Information

Molecular Formula
C15H12O4
SMILES
C1C(C2=CC=CC=C21)C(=O)C3=C(C=C(C=C3O)O)O
InChI
InChI=1S/C15H12O4/c16-9-6-12(17)14(13(18)7-9)15(19)11-5-8-3-1-2-4-10(8)11/h1-4,6-7,11,16-18H,5H2
InChIKey
WWFNRAGJQWORDQ-UHFFFAOYSA-N
Compound name
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,4,6-trihydroxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.07355 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.080826 154.1
[M+Na]+ 279.062768 161.4
[M-H]- 255.066274 158.3
[M+NH4]+ 274.107373 163.8
[M+K]+ 295.036708 160.5
[M+H-H2O]+ 239.070810 142.5
[M+HCOO]- 301.071751 171.5
[M+CH3COO]- 315.087401 193.7
[M+Na-2H]- 277.048216 157.4
[M]+ 256.07300142 162.4
[M]- 256.07409858 162.4
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.