CID 10965102

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

Structural Information

Molecular Formula
C8H15ClO2
SMILES
CC1(OCCO1)CCCCCl
InChI
InChI=1S/C8H15ClO2/c1-8(4-2-3-5-9)10-6-7-11-8/h2-7H2,1H3
InChIKey
AFFCAKKBRLTNFX-UHFFFAOYSA-N
Compound name
2-(4-chlorobutyl)-2-methyl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

178.07605 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.08333 137.4
[M+Na]+ 201.06527 144.7
[M-H]- 177.06877 141.5
[M+NH4]+ 196.10987 159.3
[M+K]+ 217.03921 144.5
[M+H-H2O]+ 161.07331 134.0
[M+HCOO]- 223.07425 153.9
[M+CH3COO]- 237.08990 176.7
[M+Na-2H]- 199.05072 144.5
[M]+ 178.07550 140.8
[M]- 178.07660 140.8
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