CID 6433370

1,1,2,4-tetrachlorobutene

Structural Information

Molecular Formula
C4H4Cl4
SMILES
C(/C=C(/C(Cl)Cl)\Cl)Cl
InChI
InChI=1S/C4H4Cl4/c5-2-1-3(6)4(7)8/h1,4H,2H2/b3-1-
InChIKey
JMHDKPDUQSVLSP-IWQZZHSRSA-N
Compound name
(Z)-1,1,2,4-tetrachlorobut-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.90671 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.91399 132.9
[M+Na]+ 214.89593 141.1
[M-H]- 190.89943 130.1
[M+NH4]+ 209.94053 152.6
[M+K]+ 230.86987 136.0
[M+H-H2O]+ 174.90397 132.0
[M+HCOO]- 236.90491 134.9
[M+CH3COO]- 250.92056 182.9
[M+Na-2H]- 212.88138 134.9
[M]+ 191.90616 132.6
[M]- 191.90726 132.6
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