CID 3058937

Brn 5579538

Structural Information

Molecular Formula
C16H12O5
SMILES
COC1=C(C=CC(=C1)C2(C(=O)C3=CC=CC=C3C2=O)O)O
InChI
InChI=1S/C16H12O5/c1-21-13-8-9(6-7-12(13)17)16(20)14(18)10-4-2-3-5-11(10)15(16)19/h2-8,17,20H,1H3
InChIKey
GIWGHQDIZJOOEN-UHFFFAOYSA-N
Compound name
2-hydroxy-2-(4-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 159.9
[M+Na]+ 307.05770 170.7
[M-H]- 283.06120 166.5
[M+NH4]+ 302.10230 179.6
[M+K]+ 323.03164 166.5
[M+H-H2O]+ 267.06574 154.5
[M+HCOO]- 329.06668 181.1
[M+CH3COO]- 343.08233 195.5
[M+Na-2H]- 305.04315 163.8
[M]+ 284.06793 162.4
[M]- 284.06903 162.4
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.