CID 61187

1-chloro-2-(2-(2-(2-chloroethoxy)ethoxy)ethoxy)ethane

Structural Information

Molecular Formula
C8H16Cl2O3
SMILES
C(COCCCl)OCCOCCCl
InChI
InChI=1S/C8H16Cl2O3/c9-1-3-11-5-7-13-8-6-12-4-2-10/h1-8H2
InChIKey
ZCFRYTWBXNQVOW-UHFFFAOYSA-N
Compound name
1-(2-chloroethoxy)-2-[2-(2-chloroethoxy)ethoxy]ethane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

654
Patents

230.04765 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.05493 146.3
[M+Na]+ 253.03687 153.8
[M-H]- 229.04037 145.5
[M+NH4]+ 248.08147 165.8
[M+K]+ 269.01081 150.7
[M+H-H2O]+ 213.04491 142.9
[M+HCOO]- 275.04585 160.7
[M+CH3COO]- 289.06150 187.7
[M+Na-2H]- 251.02232 151.4
[M]+ 230.04710 155.2
[M]- 230.04820 155.2
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