CID 13556

1,3-dichlorobut-2-ene

Structural Information

Molecular Formula
C4H6Cl2
SMILES
CC(=CCCl)Cl
InChI
InChI=1S/C4H6Cl2/c1-4(6)2-3-5/h2H,3H2,1H3
InChIKey
WLIADPFXSACYLS-UHFFFAOYSA-N
Compound name
1,3-dichlorobut-2-ene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

450
Patents

123.98466 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.99194 119.3
[M+Na]+ 146.97388 132.2
[M+NH4]+ 142.01848 128.9
[M+K]+ 162.94782 125.1
[M-H]- 122.97738 119.5
[M+Na-2H]- 144.95933 124.8
[M]+ 123.98411 121.7
[M]- 123.98521 121.7
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