CID 6444602

Tetrachlorohexatriene

Structural Information

Molecular Formula
C6H4Cl4
SMILES
C=C/C=C(/C(=C(Cl)Cl)Cl)\Cl
InChI
InChI=1S/C6H4Cl4/c1-2-3-4(7)5(8)6(9)10/h2-3H,1H2/b4-3-
InChIKey
ZPEODRZHYGMNMQ-ARJAWSKDSA-N
Compound name
(3Z)-1,1,2,3-tetrachlorohexa-1,3,5-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

215.90671 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.91399 143.7
[M+Na]+ 238.89593 155.4
[M+NH4]+ 233.94053 151.4
[M+K]+ 254.86987 148.3
[M-H]- 214.89943 142.1
[M+Na-2H]- 236.88138 147.0
[M]+ 215.90616 145.8
[M]- 215.90726 145.8
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

patents stripe