CID 4462293

3-(2-chloroethoxy)prop-1-ene

Structural Information

Molecular Formula
C5H9ClO
SMILES
C=CCOCCCl
InChI
InChI=1S/C5H9ClO/c1-2-4-7-5-3-6/h2H,1,3-5H2
InChIKey
PZNYRERWHNMQFH-UHFFFAOYSA-N
Compound name
3-(2-chloroethoxy)prop-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

180
Patents

120.034195 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.041471 121.0
[M+Na]+ 143.023413 129.7
[M-H]- 119.026919 121.3
[M+NH4]+ 138.068018 144.5
[M+K]+ 158.997353 127.6
[M+H-H2O]+ 103.031455 117.9
[M+HCOO]- 165.032396 141.0
[M+CH3COO]- 179.048046 169.3
[M+Na-2H]- 141.008861 128.4
[M]+ 120.03364642 124.4
[M]- 120.03474358 124.4
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