CID 518659

Bis(2,3,3,3-tetrachloropropyl) ether

Structural Information

Molecular Formula
C6H6Cl8O
SMILES
C(C(C(Cl)(Cl)Cl)Cl)OCC(C(Cl)(Cl)Cl)Cl
InChI
InChI=1S/C6H6Cl8O/c7-3(5(9,10)11)1-15-2-4(8)6(12,13)14/h3-4H,1-2H2
InChIKey
LNJXZKBHJZAIKQ-UHFFFAOYSA-N
Compound name
1,1,1,2-tetrachloro-3-(2,3,3,3-tetrachloropropoxy)propane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

14
References

2153
Patents

373.7927 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.799976 187.5
[M+Na]+ 396.781918 189.4
[M-H]- 372.785424 177.1
[M+NH4]+ 391.826523 195.1
[M+K]+ 412.755858 188.1
[M+H-H2O]+ 356.789960 185.4
[M+HCOO]- 418.790901 166.9
[M+CH3COO]- 432.806551 217.0
[M+Na-2H]- 394.767366 180.5
[M]+ 373.79215142 177.1
[M]- 373.79324858 177.1
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