CID 468132

78426-09-2

Structural Information

Molecular Formula
C16H10O4
SMILES
C1=CC=C2C(=C1)C(=O)C(=CC3=CC(=C(C=C3)O)O)C2=O
InChI
InChI=1S/C16H10O4/c17-13-6-5-9(8-14(13)18)7-12-15(19)10-3-1-2-4-11(10)16(12)20/h1-8,17-18H
InChIKey
HNKTYJVAICSKHB-UHFFFAOYSA-N
Compound name
2-[(3,4-dihydroxyphenyl)methylidene]indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

2
Patents

266.05792 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.06520 156.4
[M+Na]+ 289.04714 166.7
[M-H]- 265.05064 162.6
[M+NH4]+ 284.09174 174.8
[M+K]+ 305.02108 161.0
[M+H-H2O]+ 249.05518 150.7
[M+HCOO]- 311.05612 177.6
[M+CH3COO]- 325.07177 192.3
[M+Na-2H]- 287.03259 158.8
[M]+ 266.05737 156.2
[M]- 266.05847 156.2
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