CID 41650

Pentachlorobutadiene

Structural Information

Molecular Formula
C4HCl5
SMILES
C(=C(Cl)Cl)C(=C(Cl)Cl)Cl
InChI
InChI=1S/C4HCl5/c5-2(4(8)9)1-3(6)7/h1H
InChIKey
WVFBDVFCOCLEFM-UHFFFAOYSA-N
Compound name
1,1,2,4,4-pentachlorobuta-1,3-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

380
Patents

223.8521 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.85938 147.2
[M+Na]+ 246.84132 158.7
[M+NH4]+ 241.88592 154.6
[M+K]+ 262.81526 151.7
[M-H]- 222.84482 145.4
[M+Na-2H]- 244.82677 150.4
[M]+ 223.85155 149.4
[M]- 223.85265 149.4
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