CID 305922

2-chloro-1,1,1-triethoxyethane

Structural Information

Molecular Formula
C8H17ClO3
SMILES
CCOC(CCl)(OCC)OCC
InChI
InChI=1S/C8H17ClO3/c1-4-10-8(7-9,11-5-2)12-6-3/h4-7H2,1-3H3
InChIKey
URFKLQSFBXBOQU-UHFFFAOYSA-N
Compound name
2-chloro-1,1,1-triethoxyethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

499
Patents

196.08662 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.09390 140.9
[M+Na]+ 219.07584 151.1
[M+NH4]+ 214.12044 148.3
[M+K]+ 235.04978 145.8
[M-H]- 195.07934 139.3
[M+Na-2H]- 217.06129 144.3
[M]+ 196.08607 142.1
[M]- 196.08717 142.1
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

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