CID 642197

2-butene, 1,4-dichloro-, (2e)-

Structural Information

Molecular Formula
C4H6Cl2
SMILES
C(/C=C/CCl)Cl
InChI
InChI=1S/C4H6Cl2/c5-3-1-2-4-6/h1-2H,3-4H2/b2-1+
InChIKey
FQDIANVAWVHZIR-OWOJBTEDSA-N
Compound name
(E)-1,4-dichlorobut-2-ene
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

16
References

4813
Patents

123.98466 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.99194 119.8
[M+Na]+ 146.97388 129.2
[M-H]- 122.97738 119.5
[M+NH4]+ 142.01848 143.3
[M+K]+ 162.94782 125.2
[M+H-H2O]+ 106.98192 117.7
[M+HCOO]- 168.98286 134.7
[M+CH3COO]- 182.99851 168.8
[M+Na-2H]- 144.95933 126.8
[M]+ 123.98411 121.9
[M]- 123.98521 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