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 149.1
[M+Na]+ 229.09658 155.6
[M-H]- 205.10008 152.8
[M+NH4]+ 224.14118 168.2
[M+K]+ 245.07052 154.6
[M+H-H2O]+ 189.10462 144.5
[M+HCOO]- 251.10556 164.8
[M+CH3COO]- 265.12121 184.2
[M+Na-2H]- 227.08203 153.0
[M]+ 206.10681 153.3
[M]- 206.10791 153.3
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.