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

0
Patents

215.90671 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.913986 139.1
[M+Na]+ 238.895928 147.1
[M-H]- 214.899434 136.4
[M+NH4]+ 233.940533 157.9
[M+K]+ 254.869868 140.7
[M+H-H2O]+ 198.903970 138.2
[M+HCOO]- 260.904911 140.2
[M+CH3COO]- 274.920561 186.8
[M+Na-2H]- 236.881376 139.1
[M]+ 215.90616142 137.8
[M]- 215.90725858 137.8
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