CID 69643

1,1,3-tris(2-chloroethoxy)propane

Structural Information

Molecular Formula
C9H17Cl3O3
SMILES
C(COCCCl)C(OCCCl)OCCCl
InChI
InChI=1S/C9H17Cl3O3/c10-2-6-13-5-1-9(14-7-3-11)15-8-4-12/h9H,1-8H2
InChIKey
QHRNWCLHOBWELK-UHFFFAOYSA-N
Compound name
1,1,3-tris(2-chloroethoxy)propane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

278.02432 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.03160 155.8
[M+Na]+ 301.01354 162.6
[M-H]- 277.01704 153.9
[M+NH4]+ 296.05814 173.2
[M+K]+ 316.98748 158.5
[M+H-H2O]+ 261.02158 153.0
[M+HCOO]- 323.02252 163.5
[M+CH3COO]- 337.03817 196.6
[M+Na-2H]- 298.99899 158.1
[M]+ 278.02377 164.2
[M]- 278.02487 164.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.