CID 4462293

1462-39-1

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

160
Patents

120.034195 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.04147 121.0
[M+Na]+ 143.02341 129.7
[M-H]- 119.02692 121.3
[M+NH4]+ 138.06802 144.5
[M+K]+ 158.99735 127.6
[M+H-H2O]+ 103.03146 117.9
[M+HCOO]- 165.03240 141.0
[M+CH3COO]- 179.04805 169.3
[M+Na-2H]- 141.00886 128.4
[M]+ 120.03365 124.4
[M]- 120.03474 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