CID 8171

1,2-bis(2-chloroethoxy)ethane

Structural Information

Molecular Formula
C6H12Cl2O2
SMILES
C(COCCCl)OCCCl
InChI
InChI=1S/C6H12Cl2O2/c7-1-3-9-5-6-10-4-2-8/h1-6H2
InChIKey
AGYUOJIYYGGHKV-UHFFFAOYSA-N
Compound name
1,2-bis(2-chloroethoxy)ethane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

1
References

1176
Patents

186.02144 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.02872 133.3
[M+Na]+ 209.01066 145.2
[M+NH4]+ 204.05526 141.8
[M+K]+ 224.98460 138.0
[M-H]- 185.01416 132.8
[M+Na-2H]- 206.99611 137.9
[M]+ 186.02089 135.3
[M]- 186.02199 135.3
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