CID 110944

2,3-dichlorobut-1-ene

Structural Information

Molecular Formula
C4H6Cl2
SMILES
CC(C(=C)Cl)Cl
InChI
InChI=1S/C4H6Cl2/c1-3(5)4(2)6/h4H,1H2,2H3
InChIKey
LKINOBKAEGPXMI-UHFFFAOYSA-N
Compound name
2,3-dichlorobut-1-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

403
Patents

123.98466 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.991936 118.8
[M+Na]+ 146.973878 127.8
[M-H]- 122.977384 118.9
[M+NH4]+ 142.018483 142.3
[M+K]+ 162.947818 124.5
[M+H-H2O]+ 106.981920 117.0
[M+HCOO]- 168.982861 131.9
[M+CH3COO]- 182.998511 171.0
[M+Na-2H]- 144.959326 123.6
[M]+ 123.98411142 119.9
[M]- 123.98520858 119.9
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