CID 357

1,3,4,6-tetrachloro-1,4-cyclohexadiene

Structural Information

Molecular Formula
C6H4Cl4
SMILES
C1=C(C(C=C(C1Cl)Cl)Cl)Cl
InChI
InChI=1S/C6H4Cl4/c7-3-1-4(8)6(10)2-5(3)9/h1-3,6H
InChIKey
HKAJKOBDBFGGIU-UHFFFAOYSA-N
Compound name
1,3,4,6-tetrachlorocyclohexa-1,4-diene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

23
Patents

215.90671 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.91399 137.4
[M+Na]+ 238.89593 147.9
[M-H]- 214.89943 137.8
[M+NH4]+ 233.94053 156.9
[M+K]+ 254.86987 142.3
[M+H-H2O]+ 198.90397 135.5
[M+HCOO]- 260.90491 140.4
[M+CH3COO]- 274.92056 187.1
[M+Na-2H]- 236.88138 140.1
[M]+ 215.90616 137.5
[M]- 215.90726 137.5
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.