CID 202696

Brn 2008463

Structural Information

Molecular Formula
C18H10O5
SMILES
C1=CC=C2C(=C1)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4O)O
InChI
InChI=1S/C18H10O5/c19-11-7-3-6-10-12(11)18(23)14-13(17(10)22)15(20)8-4-1-2-5-9(8)16(14)21/h1-7,19-21H
InChIKey
VRZWXDVEISNQSP-UHFFFAOYSA-N
Compound name
1,6,11-trihydroxytetracene-5,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.05283 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.06011 164.3
[M+Na]+ 329.04205 175.4
[M-H]- 305.04555 168.0
[M+NH4]+ 324.08665 180.7
[M+K]+ 345.01599 169.8
[M+H-H2O]+ 289.05009 157.5
[M+HCOO]- 351.05103 179.9
[M+CH3COO]- 365.06668 175.7
[M+Na-2H]- 327.02750 170.2
[M]+ 306.05228 165.3
[M]- 306.05338 165.3
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.