CID 162345315

Ns00132981

Structural Information

Molecular Formula
C11H8Cl2O2
SMILES
CC1C(=O)C2=CC=CC=C2C(=O)C1(Cl)Cl
InChI
InChI=1S/C11H8Cl2O2/c1-6-9(14)7-4-2-3-5-8(7)10(15)11(6,12)13/h2-6H,1H3
InChIKey
MIROVOXQVVVAOL-UHFFFAOYSA-N
Compound name
3,3-dichloro-2-methyl-2H-naphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.99013 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.997406 143.4
[M+Na]+ 264.979348 155.7
[M-H]- 240.982854 148.2
[M+NH4]+ 260.023953 166.0
[M+K]+ 280.953288 150.0
[M+H-H2O]+ 224.987390 140.5
[M+HCOO]- 286.988331 155.7
[M+CH3COO]- 301.003981 190.4
[M+Na-2H]- 262.964796 149.2
[M]+ 241.98958142 146.5
[M]- 241.99067858 146.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.