CID 3024294

2-chloro-1,1-bis(2-methoxyethoxy)ethane

Structural Information

Molecular Formula
C8H17ClO4
SMILES
COCCOC(CCl)OCCOC
InChI
InChI=1S/C8H17ClO4/c1-10-3-5-12-8(7-9)13-6-4-11-2/h8H,3-7H2,1-2H3
InChIKey
SUBSHCJSKRMLPQ-UHFFFAOYSA-N
Compound name
2-chloro-1,1-bis(2-methoxyethoxy)ethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.08154 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.088816 144.3
[M+Na]+ 235.070758 151.2
[M-H]- 211.074264 144.2
[M+NH4]+ 230.115363 164.0
[M+K]+ 251.044698 150.6
[M+H-H2O]+ 195.078800 139.9
[M+HCOO]- 257.079741 163.0
[M+CH3COO]- 271.095391 185.8
[M+Na-2H]- 233.056206 148.9
[M]+ 212.08099142 153.4
[M]- 212.08208858 153.4
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.