CID 7850

Allyl chloride

Structural Information

Molecular Formula
C3H5Cl
SMILES
C=CCCl
InChI
InChI=1S/C3H5Cl/c1-2-3-4/h2H,1,3H2
InChIKey
OSDWBNJEKMUWAV-UHFFFAOYSA-N
Compound name
3-chloroprop-1-ene
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

104
References

45546
Patents

76.00798 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 77.015256 108.3
[M+Na]+ 98.997198 121.4
[M+NH4]+ 94.041803 118.3
[M+K]+ 114.97114 114.3
[M-H]- 75.000704 109.0
[M+Na-2H]- 96.982646 114.5
[M]+ 76.007431 110.6
[M]- 76.008529 110.6
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