CID 3073061

1h,3h-difuro(3,4-b:3',4'-e)pyridine-1,7(4h)-dione, 5,8-dihydro-8-(2,4-dichlorophenyl)-

Structural Information

Molecular Formula
C15H9Cl2NO4
SMILES
C1C2=C(C(C3=C(N2)COC3=O)C4=C(C=C(C=C4)Cl)Cl)C(=O)O1
InChI
InChI=1S/C15H9Cl2NO4/c16-6-1-2-7(8(17)3-6)11-12-9(4-21-14(12)19)18-10-5-22-15(20)13(10)11/h1-3,11,18H,4-5H2
InChIKey
CJDSFCFGANTOJE-UHFFFAOYSA-N
Compound name
8-(2,4-dichlorophenyl)-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

336.99088 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.99816 174.7
[M+Na]+ 359.98010 186.8
[M-H]- 335.98360 182.1
[M+NH4]+ 355.02470 191.0
[M+K]+ 375.95404 181.7
[M+H-H2O]+ 319.98814 170.4
[M+HCOO]- 381.98908 181.9
[M+CH3COO]- 396.00473 186.4
[M+Na-2H]- 357.96555 174.6
[M]+ 336.99033 179.0
[M]- 336.99143 179.0
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

patents stripe