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

511
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 142.2
[M+Na]+ 219.07584 149.8
[M-H]- 195.07934 142.3
[M+NH4]+ 214.12044 162.8
[M+K]+ 235.04978 148.7
[M+H-H2O]+ 179.08388 138.5
[M+HCOO]- 241.08482 160.0
[M+CH3COO]- 255.10047 183.4
[M+Na-2H]- 217.06129 148.6
[M]+ 196.08607 149.9
[M]- 196.08717 149.9
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

patents stripe