CID 12971

3,4-dichloro-1-butene

Structural Information

Molecular Formula
C4H6Cl2
SMILES
C=CC(CCl)Cl
InChI
InChI=1S/C4H6Cl2/c1-2-4(6)3-5/h2,4H,1,3H2
InChIKey
XVEASTGLHPVZNA-UHFFFAOYSA-N
Compound name
3,4-dichlorobut-1-ene
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

11
References

1122
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 119.2
[M+Na]+ 146.97388 132.1
[M+NH4]+ 142.01848 128.8
[M+K]+ 162.94782 125.0
[M-H]- 122.97738 119.4
[M+Na-2H]- 144.95933 124.7
[M]+ 123.98411 121.6
[M]- 123.98521 121.6
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