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 169.4
[M+Na]+ 323.11512 173.9
[M-H]- 299.11862 166.7
[M+NH4]+ 318.15972 185.3
[M+K]+ 339.08906 169.8
[M+H-H2O]+ 283.12316 165.7
[M+HCOO]- 345.12410 178.0
[M+CH3COO]- 359.13975 202.0
[M+Na-2H]- 321.10057 167.7
[M]+ 300.12535 176.7
[M]- 300.12645 176.7
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.