CID 3079725

Brn 4264787

Structural Information

Molecular Formula
C16H10O6
SMILES
C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C=CC(=C3)O)C(=O)O)O
InChI
InChI=1S/C16H10O6/c17-9-2-4-14-10(6-9)13(19)7-15(22-14)8-1-3-12(18)11(5-8)16(20)21/h1-7,17-18H,(H,20,21)
InChIKey
VSWBOXDOCDRSRU-UHFFFAOYSA-N
Compound name
2-hydroxy-5-(6-hydroxy-4-oxochromen-2-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.04773 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.05501 162.1
[M+Na]+ 321.03695 172.1
[M-H]- 297.04045 167.9
[M+NH4]+ 316.08155 175.1
[M+K]+ 337.01089 169.2
[M+H-H2O]+ 281.04499 154.9
[M+HCOO]- 343.04593 180.5
[M+CH3COO]- 357.06158 197.5
[M+Na-2H]- 319.02240 167.2
[M]+ 298.04718 164.5
[M]- 298.04828 164.5
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

No patent data available for this compound.