CID 5480020

Schembl21025958

Structural Information

Molecular Formula
C15H12O3
SMILES
CC1=CC2=C(C=C1)C(=O)OC3=CC(=CC(=C32)O)C
InChI
InChI=1S/C15H12O3/c1-8-3-4-10-11(5-8)14-12(16)6-9(2)7-13(14)18-15(10)17/h3-7,16H,1-2H3
InChIKey
VTKZJLAWSJMCSK-UHFFFAOYSA-N
Compound name
1-hydroxy-3,9-dimethylbenzo[c]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

240.07864 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.08592 148.7
[M+Na]+ 263.06786 161.8
[M-H]- 239.07136 155.4
[M+NH4]+ 258.11246 167.6
[M+K]+ 279.04180 158.4
[M+H-H2O]+ 223.07590 142.4
[M+HCOO]- 285.07684 170.7
[M+CH3COO]- 299.09249 163.3
[M+Na-2H]- 261.05331 157.8
[M]+ 240.07809 154.1
[M]- 240.07919 154.1
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

patents stripe