CID 5453495

197965-28-9

Structural Information

Molecular Formula
C13H12O4
SMILES
C1CCC2=C(C1)C3=CC(=C(C=C3OC2=O)O)O
InChI
InChI=1S/C13H12O4/c14-10-5-9-7-3-1-2-4-8(7)13(16)17-12(9)6-11(10)15/h5-6,14-15H,1-4H2
InChIKey
BYWQENRDUAFAAH-UHFFFAOYSA-N
Compound name
2,3-dihydroxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

232.07356 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.08084 146.6
[M+Na]+ 255.06278 160.9
[M+NH4]+ 250.10738 155.4
[M+K]+ 271.03672 154.8
[M-H]- 231.06628 150.2
[M+Na-2H]- 253.04823 151.1
[M]+ 232.07301 149.6
[M]- 232.07411 149.6
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