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

104
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.