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 139.1
[M+Na]+ 238.89593 147.1
[M-H]- 214.89943 136.4
[M+NH4]+ 233.94053 157.9
[M+K]+ 254.86987 140.7
[M+H-H2O]+ 198.90397 138.2
[M+HCOO]- 260.90491 140.2
[M+CH3COO]- 274.92056 186.8
[M+Na-2H]- 236.88138 139.1
[M]+ 215.90616 137.8
[M]- 215.90726 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