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]+ 257.08083 154.1
[M+Na]+ 279.06277 161.4
[M-H]- 255.06627 158.3
[M+NH4]+ 274.10737 163.8
[M+K]+ 295.03671 160.5
[M+H-H2O]+ 239.07081 142.5
[M+HCOO]- 301.07175 171.5
[M+CH3COO]- 315.08740 193.7
[M+Na-2H]- 277.04822 157.4
[M]+ 256.07300 162.4
[M]- 256.07410 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.