CID 369409

Nsc641179

Structural Information

Molecular Formula
C16H10O5
SMILES
C1=CC=C2C(=C1)C(=O)C(=CC3=C(C=C(C=C3O)O)O)C2=O
InChI
InChI=1S/C16H10O5/c17-8-5-13(18)11(14(19)6-8)7-12-15(20)9-3-1-2-4-10(9)16(12)21/h1-7,17-19H
InChIKey
PCONGAYMHWGQAX-UHFFFAOYSA-N
Compound name
2-[(2,4,6-trihydroxyphenyl)methylidene]indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.05283 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.06011 159.4
[M+Na]+ 305.04205 169.9
[M-H]- 281.04555 164.6
[M+NH4]+ 300.08665 176.6
[M+K]+ 321.01599 164.2
[M+H-H2O]+ 265.05009 154.0
[M+HCOO]- 327.05103 179.1
[M+CH3COO]- 341.06668 193.7
[M+Na-2H]- 303.02750 160.9
[M]+ 282.05228 159.3
[M]- 282.05338 159.3
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.