CID 111465

1-chloro-3-(1-chloromethyl-2-(2-ethylamyloxy)ethoxy)-2-propanol

Structural Information

Molecular Formula
C13H26Cl2O3
SMILES
CCCC(CC)COCC(CCl)OCC(CCl)O
InChI
InChI=1S/C13H26Cl2O3/c1-3-5-11(4-2)8-17-10-13(7-15)18-9-12(16)6-14/h11-13,16H,3-10H2,1-2H3
InChIKey
HOROHTJLNQBOPL-UHFFFAOYSA-N
Compound name
1-chloro-3-[1-chloro-3-(2-ethylpentoxy)propan-2-yl]oxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.1259 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.13318 168.1
[M+Na]+ 323.11512 176.6
[M+NH4]+ 318.15972 174.2
[M+K]+ 339.08906 170.9
[M-H]- 299.11862 165.6
[M+Na-2H]- 321.10057 168.7
[M]+ 300.12535 168.9
[M]- 300.12645 168.9
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.