CID 35801

Butene, 1,4-dichloro-

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1297
Patents

123.98466 Da
Monoisotopic Mass

2.2
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

No literature data available for this compound.

Patent stripe

patents stripe