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

122
Patents

186.02144 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.02872 133.8
[M+Na]+ 209.01066 145.3
[M+NH4]+ 204.05526 142.2
[M+K]+ 224.98460 138.9
[M-H]- 185.01416 133.1
[M+Na-2H]- 206.99611 138.0
[M]+ 186.02089 135.7
[M]- 186.02199 135.7
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