CID 21588200

7,7'-dihydroxy-6,8'-bicoumarin

Structural Information

Molecular Formula
C18H10O6
SMILES
C1=CC(=C(C2=C1C=CC(=O)O2)C3=C(C=C4C(=C3)C=CC(=O)O4)O)O
InChI
InChI=1S/C18H10O6/c19-12-4-1-9-2-5-16(22)24-18(9)17(12)11-7-10-3-6-15(21)23-14(10)8-13(11)20/h1-8,19-20H
InChIKey
GGNRJMYAXINNLX-UHFFFAOYSA-N
Compound name
7-hydroxy-8-(7-hydroxy-2-oxochromen-6-yl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

2
Patents

322.04773 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.055006 168.8
[M+Na]+ 345.036948 181.9
[M-H]- 321.040454 178.3
[M+NH4]+ 340.081553 181.4
[M+K]+ 361.010888 179.6
[M+H-H2O]+ 305.044990 160.4
[M+HCOO]- 367.045931 188.9
[M+CH3COO]- 381.061581 182.0
[M+Na-2H]- 343.022396 177.9
[M]+ 322.04718142 175.3
[M]- 322.04827858 175.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe