CID 3033841

Dichlorobutene

Structural Information

Molecular Formula
C4H6Cl2
SMILES
CCC=C(Cl)Cl
InChI
InChI=1S/C4H6Cl2/c1-2-3-4(5)6/h3H,2H2,1H3
InChIKey
UAZUEJTXWAXSMA-UHFFFAOYSA-N
Compound name
1,1-dichlorobut-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2007
Patents

123.98466 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.991936 119.5
[M+Na]+ 146.973878 128.8
[M-H]- 122.977384 119.5
[M+NH4]+ 142.018483 143.1
[M+K]+ 162.947818 125.1
[M+H-H2O]+ 106.981920 117.6
[M+HCOO]- 168.982861 133.5
[M+CH3COO]- 182.998511 169.5
[M+Na-2H]- 144.959326 125.4
[M]+ 123.98411142 121.1
[M]- 123.98520858 121.1
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