CID 728

1890-40-0

Structural Information

Molecular Formula
C6H5Cl5
SMILES
C1=C(C(C(C(C1Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C6H5Cl5/c7-2-1-3(8)5(10)6(11)4(2)9/h1-2,4-6H
InChIKey
MQYAVRUCONBHOR-UHFFFAOYSA-N
Compound name
1,3,4,5,6-pentachlorocyclohexene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

31
Patents

251.88339 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.89067 150.7
[M+Na]+ 274.87261 164.7
[M+NH4]+ 269.91721 159.5
[M+K]+ 290.84655 156.1
[M-H]- 250.87611 151.8
[M+Na-2H]- 272.85806 155.9
[M]+ 251.88284 154.3
[M]- 251.88394 154.3
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