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

literature stripe

Patent stripe

patents stripe