CID 357621

203115-63-3

Structural Information

Molecular Formula
C13H10Cl4N2O4
SMILES
CC(C)(CN1C(=O)C(=C(C1=O)Cl)Cl)CN2C(=O)C(=C(C2=O)Cl)Cl
InChI
InChI=1S/C13H10Cl4N2O4/c1-13(2,3-18-9(20)5(14)6(15)10(18)21)4-19-11(22)7(16)8(17)12(19)23/h3-4H2,1-2H3
InChIKey
PCOXPBOKDABARQ-UHFFFAOYSA-N
Compound name
3,4-dichloro-1-[3-(3,4-dichloro-2,5-dioxopyrrol-1-yl)-2,2-dimethylpropyl]pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

15
Patents

397.93945 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.94673 187.9
[M+Na]+ 420.92867 199.9
[M-H]- 396.93217 190.2
[M+NH4]+ 415.97327 201.6
[M+K]+ 436.90261 193.8
[M+H-H2O]+ 380.93671 183.2
[M+HCOO]- 442.93765 187.1
[M+CH3COO]- 456.95330 217.8
[M+Na-2H]- 418.91412 181.6
[M]+ 397.93890 192.3
[M]- 397.94000 192.3
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