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

2
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

literature stripe

Patent stripe

patents stripe