CID 8342

2,3-dichloro-1,4-naphthoquinone

Structural Information

Molecular Formula
C10H4Cl2O2
SMILES
C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)Cl
InChI
InChI=1S/C10H4Cl2O2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H
InChIKey
SVPKNMBRVBMTLB-UHFFFAOYSA-N
Compound name
2,3-dichloronaphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

69
References

31277
Patents

225.95883 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.966106 138.8
[M+Na]+ 248.948048 151.6
[M-H]- 224.951554 143.7
[M+NH4]+ 243.992653 160.1
[M+K]+ 264.921988 145.8
[M+H-H2O]+ 208.956090 135.4
[M+HCOO]- 270.957031 152.7
[M+CH3COO]- 284.972681 187.6
[M+Na-2H]- 246.933496 144.9
[M]+ 225.95828142 142.7
[M]- 225.95937858 142.7
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