CID 12723675

2,2-dichloro-1,1,1-triethoxyethane

Structural Information

Molecular Formula
C8H16Cl2O3
SMILES
CCOC(C(Cl)Cl)(OCC)OCC
InChI
InChI=1S/C8H16Cl2O3/c1-4-11-8(7(9)10,12-5-2)13-6-3/h7H,4-6H2,1-3H3
InChIKey
ZKMPARWUDMKPMZ-UHFFFAOYSA-N
Compound name
2,2-dichloro-1,1,1-triethoxyethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

230.04765 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.05493 146.5
[M+Na]+ 253.03687 156.9
[M+NH4]+ 248.08147 153.8
[M+K]+ 269.01081 151.6
[M-H]- 229.04037 144.6
[M+Na-2H]- 251.02232 149.5
[M]+ 230.04710 147.9
[M]- 230.04820 147.9
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

patents stripe