CID 170681

42769-38-0

Structural Information

Molecular Formula
C4H2Cl4
SMILES
C(=C(Cl)Cl)C(=CCl)Cl
InChI
InChI=1S/C4H2Cl4/c5-2-3(6)1-4(7)8/h1-2H
InChIKey
XTSDMNIRVUOODR-UHFFFAOYSA-N
Compound name
1,1,3,4-tetrachlorobuta-1,3-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

189.89107 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.89835 132.3
[M+Na]+ 212.88029 140.9
[M-H]- 188.88379 129.6
[M+NH4]+ 207.92489 152.1
[M+K]+ 228.85423 135.2
[M+H-H2O]+ 172.88833 131.5
[M+HCOO]- 234.88927 134.5
[M+CH3COO]- 248.90492 181.4
[M+Na-2H]- 210.86574 134.3
[M]+ 189.89052 131.3
[M]- 189.89162 131.3
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