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
6
Annotation Hits

1
References

1363
Patents

186.02144 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.028716 135.0
[M+Na]+ 209.010658 143.3
[M-H]- 185.014164 134.5
[M+NH4]+ 204.055263 156.2
[M+K]+ 224.984598 140.2
[M+H-H2O]+ 169.018700 132.1
[M+HCOO]- 231.019641 149.7
[M+CH3COO]- 245.035291 180.0
[M+Na-2H]- 206.996106 141.0
[M]+ 186.02089142 141.6
[M]- 186.02198858 141.6
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