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
7
Annotation Hits

136
References

142458
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 111.8
[M+Na]+ 110.99720 121.0
[M-H]- 87.000704 112.5
[M+NH4]+ 106.04180 136.5
[M+K]+ 126.97114 118.5
[M+H-H2O]+ 71.005240 109.3
[M+HCOO]- 133.00618 131.2
[M+CH3COO]- 147.02183 164.2
[M+Na-2H]- 108.98265 118.6
[M]+ 88.007431 112.0
[M]- 88.008529 112.0
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