CID 9837937

Refchem:923634

Structural Information

Molecular Formula
C15H10O4
SMILES
C1=CC(=CC=C1/C=C/2\C3=C(C=C(C=C3)O)OC2=O)O
InChI
InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)7-13-12-6-5-11(17)8-14(12)19-15(13)18/h1-8,16-17H/b13-7+
InChIKey
DJGNNZVFOBIPMK-NTUHNPAUSA-N
Compound name
(3E)-6-hydroxy-3-[(4-hydroxyphenyl)methylidene]-1-benzofuran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

10
Patents

254.0579 Da
Monoisotopic Mass

2.8
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

literature stripe

Patent stripe

patents stripe