CID 236453

1,1-bis(2-chloroethoxy)ethane

Structural Information

Molecular Formula
C6H12Cl2O2
SMILES
CC(OCCCl)OCCCl
InChI
InChI=1S/C6H12Cl2O2/c1-6(9-4-2-7)10-5-3-8/h6H,2-5H2,1H3
InChIKey
KHNOWHUSVXGGLG-UHFFFAOYSA-N
Compound name
1,1-bis(2-chloroethoxy)ethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

183
Patents

186.02144 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.028716 135.0
[M+Na]+ 209.010658 143.2
[M-H]- 185.014164 134.6
[M+NH4]+ 204.055263 156.2
[M+K]+ 224.984598 140.4
[M+H-H2O]+ 169.018700 132.3
[M+HCOO]- 231.019641 148.8
[M+CH3COO]- 245.035291 180.7
[M+Na-2H]- 206.996106 139.9
[M]+ 186.02089142 141.1
[M]- 186.02198858 141.1
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