CID 361651

Nsc624869

Structural Information

Molecular Formula
C13H10O6
SMILES
C1=C(C=C(C(=C1O)C=C2C(=CC(=O)C=C2O)O)O)O
InChI
InChI=1S/C13H10O6/c14-6-1-10(16)8(11(17)2-6)5-9-12(18)3-7(15)4-13(9)19/h1-5,14,16-19H
InChIKey
SZHCFCCYPWQRPX-UHFFFAOYSA-N
Compound name
3,5-dihydroxy-4-[(2,4,6-trihydroxyphenyl)methylidene]cyclohexa-2,5-dien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.04773 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.05501 154.1
[M+Na]+ 285.03695 163.4
[M-H]- 261.04045 155.6
[M+NH4]+ 280.08155 167.9
[M+K]+ 301.01089 158.6
[M+H-H2O]+ 245.04499 148.3
[M+HCOO]- 307.04593 171.2
[M+CH3COO]- 321.06158 186.0
[M+Na-2H]- 283.02240 155.3
[M]+ 262.04718 151.9
[M]- 262.04828 151.9
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.