CID 6476401

Schembl6963493

Structural Information

Molecular Formula
C15H10O4
SMILES
C1=CC(=CC(=C1)O)/C=C\2/C(=O)C3=C(O2)C=C(C=C3)O
InChI
InChI=1S/C15H10O4/c16-10-3-1-2-9(6-10)7-14-15(18)12-5-4-11(17)8-13(12)19-14/h1-8,16-17H/b14-7-
InChIKey
ZVSCXJXQVYHWIJ-AUWJEWJLSA-N
Compound name
(2Z)-6-hydroxy-2-[(3-hydroxyphenyl)methylidene]-1-benzofuran-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

3
Patents

254.0579 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.06518 153.2
[M+Na]+ 277.04712 163.0
[M-H]- 253.05062 159.9
[M+NH4]+ 272.09172 170.7
[M+K]+ 293.02106 159.0
[M+H-H2O]+ 237.05516 147.5
[M+HCOO]- 299.05610 173.7
[M+CH3COO]- 313.07175 166.3
[M+Na-2H]- 275.03257 157.5
[M]+ 254.05735 153.7
[M]- 254.05845 153.7
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

No patent data available for this compound.