CID 2305085

Brn 2289742

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
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]+ 269.08083 158.4
[M+Na]+ 291.06277 172.1
[M+NH4]+ 286.10737 167.7
[M+K]+ 307.03671 165.7
[M-H]- 267.06627 161.3
[M+Na-2H]- 289.04822 165.6
[M]+ 268.07300 161.3
[M]- 268.07410 161.3
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.