CID 215147

Brn 1644908

Structural Information

Molecular Formula
C16H28Cl2O4
SMILES
C1C(OC(O1)CCCCCCCCC2OCC(O2)CCl)CCl
InChI
InChI=1S/C16H28Cl2O4/c17-9-13-11-19-15(21-13)7-5-3-1-2-4-6-8-16-20-12-14(10-18)22-16/h13-16H,1-12H2
InChIKey
HOPAKMUFFOCKMC-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-2-[8-[4-(chloromethyl)-1,3-dioxolan-2-yl]octyl]-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.13647 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.14375 192.0
[M+Na]+ 377.12569 196.1
[M-H]- 353.12919 198.2
[M+NH4]+ 372.17029 204.1
[M+K]+ 393.09963 194.7
[M+H-H2O]+ 337.13373 187.7
[M+HCOO]- 399.13467 198.0
[M+CH3COO]- 413.15032 208.7
[M+Na-2H]- 375.11114 190.2
[M]+ 354.13592 198.8
[M]- 354.13702 198.8
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.