CID 275108

2-chloro-3-(2,4-dioxopentan-3-yl)naphthalene-1,4-dione

Structural Information

Molecular Formula
C15H11ClO4
SMILES
CC(=O)C(C1=C(C(=O)C2=CC=CC=C2C1=O)Cl)C(=O)C
InChI
InChI=1S/C15H11ClO4/c1-7(17)11(8(2)18)12-13(16)15(20)10-6-4-3-5-9(10)14(12)19/h3-6,11H,1-2H3
InChIKey
VOXGHPDQFNUMNF-UHFFFAOYSA-N
Compound name
2-chloro-3-(2,4-dioxopentan-3-yl)naphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

290.03458 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.04186 156.6
[M+Na]+ 313.02380 166.4
[M-H]- 289.02730 161.7
[M+NH4]+ 308.06840 174.4
[M+K]+ 328.99774 162.3
[M+H-H2O]+ 273.03184 151.9
[M+HCOO]- 335.03278 171.8
[M+CH3COO]- 349.04843 203.3
[M+Na-2H]- 311.00925 157.7
[M]+ 290.03403 161.1
[M]- 290.03513 161.1
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

No patent data available for this compound.