CID 71438153

Gyrocyanin

Structural Information

Molecular Formula
C17H12O5
SMILES
C1=CC(=CC=C1C2C(=O)C(=C(C2=O)O)C3=CC=C(C=C3)O)O
InChI
InChI=1S/C17H12O5/c18-11-5-1-9(2-6-11)13-15(20)14(17(22)16(13)21)10-3-7-12(19)8-4-10/h1-8,13,18-19,22H
InChIKey
DIFAFZFNMSLGGN-UHFFFAOYSA-N
Compound name
4-hydroxy-2,5-bis(4-hydroxyphenyl)cyclopent-4-ene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

296.06848 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.07576 166.8
[M+Na]+ 319.05770 180.4
[M+NH4]+ 314.10230 173.3
[M+K]+ 335.03164 176.6
[M-H]- 295.06120 170.4
[M+Na-2H]- 317.04315 173.4
[M]+ 296.06793 169.6
[M]- 296.06903 169.6
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.