CID 167775

18964-31-3

Structural Information

Molecular Formula
C6Cl4O2
SMILES
C1(=C(C(=O)C(=C(Cl)Cl)C1=O)Cl)Cl
InChI
InChI=1S/C6Cl4O2/c7-2-3(8)5(12)1(4(2)11)6(9)10
InChIKey
YABWQIXQVBAMGN-UHFFFAOYSA-N
Compound name
4,5-dichloro-2-(dichloromethylidene)cyclopent-4-ene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

243.86523 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.87251 145.1
[M+Na]+ 266.85445 157.0
[M-H]- 242.85795 146.3
[M+NH4]+ 261.89905 165.2
[M+K]+ 282.82839 150.7
[M+H-H2O]+ 226.86249 143.8
[M+HCOO]- 288.86343 148.8
[M+CH3COO]- 302.87908 189.6
[M+Na-2H]- 264.83990 143.9
[M]+ 243.86468 146.1
[M]- 243.86578 146.1
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.