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]+ 207.114636 149.1
[M+Na]+ 229.096578 155.6
[M-H]- 205.100084 152.8
[M+NH4]+ 224.141183 168.2
[M+K]+ 245.070518 154.6
[M+H-H2O]+ 189.104620 144.5
[M+HCOO]- 251.105561 164.8
[M+CH3COO]- 265.121211 184.2
[M+Na-2H]- 227.082026 153.0
[M]+ 206.10681142 153.3
[M]- 206.10790858 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.