CID 440226

2,8-dihydroxy-1,4-naphthoquinone

Structural Information

Molecular Formula
C10H6O4
SMILES
C1=CC2=C(C(=C1)O)C(=O)C(=O)C=C2O
InChI
InChI=1S/C10H6O4/c11-6-3-1-2-5-7(12)4-8(13)10(14)9(5)6/h1-4,11-12H
InChIKey
IIHDTJRXBMXFDL-UHFFFAOYSA-N
Compound name
4,8-dihydroxynaphthalene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

12
References

99
Patents

190.02661 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.033886 133.3
[M+Na]+ 213.015828 143.9
[M-H]- 189.019334 136.4
[M+NH4]+ 208.060433 153.2
[M+K]+ 228.989768 140.6
[M+H-H2O]+ 173.023870 128.5
[M+HCOO]- 235.024811 154.2
[M+CH3COO]- 249.040461 178.5
[M+Na-2H]- 211.001276 139.8
[M]+ 190.02606142 133.3
[M]- 190.02715858 133.3
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