CID 15122

1,4-dichlorobut-2-ene

Structural Information

Molecular Formula
C4H6Cl2
SMILES
C(C=CCCl)Cl
InChI
InChI=1S/C4H6Cl2/c5-3-1-2-4-6/h1-2H,3-4H2
InChIKey
FQDIANVAWVHZIR-UHFFFAOYSA-N
Compound name
1,4-dichlorobut-2-ene
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

16
References

5224
Patents

123.98466 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.991936 119.8
[M+Na]+ 146.973878 129.2
[M-H]- 122.977384 119.5
[M+NH4]+ 142.018483 143.3
[M+K]+ 162.947818 125.2
[M+H-H2O]+ 106.981920 117.7
[M+HCOO]- 168.982861 134.7
[M+CH3COO]- 182.998511 168.8
[M+Na-2H]- 144.959326 126.8
[M]+ 123.98411142 121.9
[M]- 123.98520858 121.9
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