CID 137321687

Ddnq cpd

Structural Information

Molecular Formula
C10H4Cl2O4
SMILES
C1=CC(=C2C(=C1O)C(=O)C(=C(C2=O)Cl)Cl)O
InChI
InChI=1S/C10H4Cl2O4/c11-7-8(12)10(16)6-4(14)2-1-3(13)5(6)9(7)15/h1-2,13-14H
InChIKey
UVESKDKGJSABKP-UHFFFAOYSA-N
Compound name
2,3-dichloro-5,8-dihydroxynaphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

231
Patents

257.94867 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.95595 143.6
[M+Na]+ 280.93789 157.0
[M-H]- 256.94139 146.6
[M+NH4]+ 275.98249 162.7
[M+K]+ 296.91183 151.0
[M+H-H2O]+ 240.94593 141.2
[M+HCOO]- 302.94687 155.0
[M+CH3COO]- 316.96252 189.6
[M+Na-2H]- 278.92334 147.7
[M]+ 257.94812 147.7
[M]- 257.94922 147.7
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