CID 93056

Bis(2,3-dichloropropyl) ether

Structural Information

Molecular Formula
C6H10Cl4O
SMILES
C(C(CCl)Cl)OCC(CCl)Cl
InChI
InChI=1S/C6H10Cl4O/c7-1-5(9)3-11-4-6(10)2-8/h5-6H,1-4H2
InChIKey
DWUVEXODBSOVSX-UHFFFAOYSA-N
Compound name
1,2-dichloro-3-(2,3-dichloropropoxy)propane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

126
Patents

237.94858 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.95586 144.3
[M+Na]+ 260.93780 151.5
[M-H]- 236.94130 141.3
[M+NH4]+ 255.98240 162.4
[M+K]+ 276.91174 146.9
[M+H-H2O]+ 220.94584 142.9
[M+HCOO]- 282.94678 145.9
[M+CH3COO]- 296.96243 191.5
[M+Na-2H]- 258.92325 145.5
[M]+ 237.94803 146.9
[M]- 237.94913 146.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.