CID 97800

4-(chloromethyl)-2-hexyl-1,3-dioxolane

Structural Information

Molecular Formula
C10H19ClO2
SMILES
CCCCCCC1OCC(O1)CCl
InChI
InChI=1S/C10H19ClO2/c1-2-3-4-5-6-10-12-8-9(7-11)13-10/h9-10H,2-8H2,1H3
InChIKey
MQNUIGUARMRLPC-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-2-hexyl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.10736 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.11464 145.5
[M+Na]+ 229.09658 156.3
[M+NH4]+ 224.14118 154.0
[M+K]+ 245.07052 151.7
[M-H]- 205.10008 149.1
[M+Na-2H]- 227.08203 148.3
[M]+ 206.10681 148.3
[M]- 206.10791 148.3
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.