CID 3054489

71321-26-1

Structural Information

Molecular Formula
C16H12O4
SMILES
CC1=CC(=C(C=C1)C2(C(=O)C3=CC=CC=C3C2=O)O)O
InChI
InChI=1S/C16H12O4/c1-9-6-7-12(13(17)8-9)16(20)14(18)10-4-2-3-5-11(10)15(16)19/h2-8,17,20H,1H3
InChIKey
DUWSNLRGIUSIHP-UHFFFAOYSA-N
Compound name
2-hydroxy-2-(2-hydroxy-4-methylphenyl)indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.07355 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.080826 157.1
[M+Na]+ 291.062768 168.1
[M-H]- 267.066274 163.7
[M+NH4]+ 286.107373 177.6
[M+K]+ 307.036708 163.1
[M+H-H2O]+ 251.070810 151.8
[M+HCOO]- 313.071751 178.1
[M+CH3COO]- 327.087401 193.2
[M+Na-2H]- 289.048216 160.8
[M]+ 268.07300142 158.1
[M]- 268.07409858 158.1
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.