CID 62383

1,1'-oxybis(2,2-dichloroethane)

Structural Information

Molecular Formula
C4H6Cl4O
SMILES
C(C(Cl)Cl)OCC(Cl)Cl
InChI
InChI=1S/C4H6Cl4O/c5-3(6)1-9-2-4(7)8/h3-4H,1-2H2
InChIKey
SXQXMKMHOFIAHT-UHFFFAOYSA-N
Compound name
1,1-dichloro-2-(2,2-dichloroethoxy)ethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3304
Patents

209.91728 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.924556 135.4
[M+Na]+ 232.906498 143.3
[M-H]- 208.910004 132.7
[M+NH4]+ 227.951103 154.5
[M+K]+ 248.880438 139.2
[M+H-H2O]+ 192.914540 134.4
[M+HCOO]- 254.915481 137.6
[M+CH3COO]- 268.931131 186.0
[M+Na-2H]- 230.891946 137.6
[M]+ 209.91673142 137.2
[M]- 209.91782858 137.2
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