CID 10141

Naphthazarin

Structural Information

Molecular Formula
C10H6O4
SMILES
C1=CC(=C2C(=O)C=CC(=O)C2=C1O)O
InChI
InChI=1S/C10H6O4/c11-5-1-2-6(12)10-8(14)4-3-7(13)9(5)10/h1-4,11-12H
InChIKey
RQNVIKXOOKXAJQ-UHFFFAOYSA-N
Compound name
5,8-dihydroxynaphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

111
References

1545
Patents

190.02661 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.03389 133.3
[M+Na]+ 213.01583 143.9
[M-H]- 189.01933 136.4
[M+NH4]+ 208.06043 153.2
[M+K]+ 228.98977 140.6
[M+H-H2O]+ 173.02387 128.5
[M+HCOO]- 235.02481 154.2
[M+CH3COO]- 249.04046 178.5
[M+Na-2H]- 211.00128 139.8
[M]+ 190.02606 133.3
[M]- 190.02716 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