CID 31369

Chloroprene

Structural Information

Molecular Formula
C4H5Cl
SMILES
C=CC(=C)Cl
InChI
InChI=1S/C4H5Cl/c1-3-4(2)5/h3H,1-2H2
InChIKey
YACLQRRMGMJLJV-UHFFFAOYSA-N
Compound name
2-chlorobuta-1,3-diene
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

136
References

97760
Patents

88.00798 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 89.015256 112.8
[M+Na]+ 110.99720 125.4
[M+NH4]+ 106.04180 122.2
[M+K]+ 126.97114 118.7
[M-H]- 87.000704 113.0
[M+Na-2H]- 108.98265 118.2
[M]+ 88.007431 114.8
[M]- 88.008529 114.8
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