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

25
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

literature stripe

Patent stripe

patents stripe