CID 75583

Mompain

Structural Information

Molecular Formula
C10H6O6
SMILES
C1=C(C2=C(C(=C1O)O)C(=O)C(=O)C=C2O)O
InChI
InChI=1S/C10H6O6/c11-3-1-5(13)9(15)8-7(3)4(12)2-6(14)10(8)16/h1-2,11-13,15H
InChIKey
PEEIVTDTCNXCLB-UHFFFAOYSA-N
Compound name
4,5,7,8-tetrahydroxynaphthalene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

13
Patents

222.01643 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.02371 142.2
[M+Na]+ 245.00565 154.3
[M+NH4]+ 240.05025 148.1
[M+K]+ 260.97959 151.1
[M-H]- 221.00915 141.3
[M+Na-2H]- 242.99110 144.7
[M]+ 222.01588 143.3
[M]- 222.01698 143.3
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

patents stripe