CID 83318

2-(2-chloroethyl)-1,3-dioxane

Structural Information

Molecular Formula
C6H11ClO2
SMILES
C1COC(OC1)CCCl
InChI
InChI=1S/C6H11ClO2/c7-3-2-6-8-4-1-5-9-6/h6H,1-5H2
InChIKey
IOEDYYKJRCADRS-UHFFFAOYSA-N
Compound name
2-(2-chloroethyl)-1,3-dioxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

150.04475 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.052026 129.0
[M+Na]+ 173.033968 135.2
[M-H]- 149.037474 133.0
[M+NH4]+ 168.078573 148.2
[M+K]+ 189.007908 135.7
[M+H-H2O]+ 133.042010 124.5
[M+HCOO]- 195.042951 144.1
[M+CH3COO]- 209.058601 171.3
[M+Na-2H]- 171.019416 137.2
[M]+ 150.04420142 129.4
[M]- 150.04529858 129.4
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