CID 5163683

2-(4-chlorobutyl)-1,3-dioxolane

Structural Information

Molecular Formula
C7H13ClO2
SMILES
C1COC(O1)CCCCCl
InChI
InChI=1S/C7H13ClO2/c8-4-2-1-3-7-9-5-6-10-7/h7H,1-6H2
InChIKey
GFTDGDAKGDUYGO-UHFFFAOYSA-N
Compound name
2-(4-chlorobutyl)-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

103
Patents

164.06041 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.06769 135.1
[M+Na]+ 187.04963 141.9
[M-H]- 163.05313 138.9
[M+NH4]+ 182.09423 155.5
[M+K]+ 203.02357 141.8
[M+H-H2O]+ 147.05767 130.8
[M+HCOO]- 209.05861 151.8
[M+CH3COO]- 223.07426 174.1
[M+Na-2H]- 185.03508 141.3
[M]+ 164.05986 137.8
[M]- 164.06096 137.8
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