CID 154800

3,3-dichloro-4-(dichloromethylene)-2,5-pyrrolidinedione

Structural Information

Molecular Formula
C5HCl4NO2
SMILES
C1(=C(Cl)Cl)C(=O)NC(=O)C1(Cl)Cl
InChI
InChI=1S/C5HCl4NO2/c6-2(7)1-3(11)10-4(12)5(1,8)9/h(H,10,11,12)
InChIKey
QURBORJOJALFAD-UHFFFAOYSA-N
Compound name
3,3-dichloro-4-(dichloromethylidene)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

246.87614 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.88342 142.4
[M+Na]+ 269.86536 152.9
[M-H]- 245.86886 140.8
[M+NH4]+ 264.90996 161.8
[M+K]+ 285.83930 146.7
[M+H-H2O]+ 229.87340 140.9
[M+HCOO]- 291.87434 142.5
[M+CH3COO]- 305.88999 185.8
[M+Na-2H]- 267.85081 142.3
[M]+ 246.87559 139.9
[M]- 246.87669 139.9
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.