CID 3079724

Brn 4261234

Structural Information

Molecular Formula
C16H10O5
SMILES
C1=CC=C2C(=C1)C(=O)C=C(O2)C3=CC(=C(C=C3)O)C(=O)O
InChI
InChI=1S/C16H10O5/c17-12-6-5-9(7-11(12)16(19)20)15-8-13(18)10-3-1-2-4-14(10)21-15/h1-8,17H,(H,19,20)
InChIKey
CBWRCCWYAYFJEL-UHFFFAOYSA-N
Compound name
2-hydroxy-5-(4-oxochromen-2-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.05283 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.06011 158.8
[M+Na]+ 305.04205 168.7
[M-H]- 281.04555 165.7
[M+NH4]+ 300.08665 173.0
[M+K]+ 321.01599 165.7
[M+H-H2O]+ 265.05009 151.5
[M+HCOO]- 327.05103 178.7
[M+CH3COO]- 341.06668 196.0
[M+Na-2H]- 303.02750 165.0
[M]+ 282.05228 161.1
[M]- 282.05338 161.1
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.