CID 3058936

Brn 5586845

Structural Information

Molecular Formula
C16H12O5
SMILES
COC1=CC=CC(=C1O)C2(C(=O)C3=CC=CC=C3C2=O)O
InChI
InChI=1S/C16H12O5/c1-21-12-8-4-7-11(13(12)17)16(20)14(18)9-5-2-3-6-10(9)15(16)19/h2-8,17,20H,1H3
InChIKey
PFUWUQLIZHSOJM-UHFFFAOYSA-N
Compound name
2-hydroxy-2-(2-hydroxy-3-methoxyphenyl)indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.06848 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.07576 161.6
[M+Na]+ 307.05770 174.7
[M+NH4]+ 302.10230 170.2
[M+K]+ 323.03164 168.9
[M-H]- 283.06120 163.9
[M+Na-2H]- 305.04315 168.3
[M]+ 284.06793 164.1
[M]- 284.06903 164.1
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.