CID 13531

1,1,2,3-tetrachlorobuta-1,3-diene

Structural Information

Molecular Formula
C4H2Cl4
SMILES
C=C(C(=C(Cl)Cl)Cl)Cl
InChI
InChI=1S/C4H2Cl4/c1-2(5)3(6)4(7)8/h1H2
InChIKey
RCBKHVTUYAGMLB-UHFFFAOYSA-N
Compound name
1,1,2,3-tetrachlorobuta-1,3-diene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

191
Patents

189.89107 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.89835 130.8
[M+Na]+ 212.88029 139.1
[M-H]- 188.88379 128.3
[M+NH4]+ 207.92489 150.5
[M+K]+ 228.85423 133.8
[M+H-H2O]+ 172.88833 130.2
[M+HCOO]- 234.88927 132.3
[M+CH3COO]- 248.90492 182.8
[M+Na-2H]- 210.86574 131.9
[M]+ 189.89052 129.5
[M]- 189.89162 129.5
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