CID 138434

2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethanol

Structural Information

Molecular Formula
C8H17ClO4
SMILES
C(COCCOCCOCCCl)O
InChI
InChI=1S/C8H17ClO4/c9-1-3-11-5-7-13-8-6-12-4-2-10/h10H,1-8H2
InChIKey
ISYSKYJOWFLWCM-UHFFFAOYSA-N
Compound name
2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

212.08154 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.08882 144.2
[M+Na]+ 235.07076 150.9
[M-H]- 211.07426 142.5
[M+NH4]+ 230.11536 163.3
[M+K]+ 251.04470 148.9
[M+H-H2O]+ 195.07880 140.0
[M+HCOO]- 257.07974 162.4
[M+CH3COO]- 271.09539 182.3
[M+Na-2H]- 233.05621 149.5
[M]+ 212.08099 152.0
[M]- 212.08209 152.0
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