CID 260911

1,2,2,2-tetrachloroethyl ether

Structural Information

Molecular Formula
C4H2Cl8O
SMILES
C(C(Cl)(Cl)Cl)(OC(C(Cl)(Cl)Cl)Cl)Cl
InChI
InChI=1S/C4H2Cl8O/c5-1(3(7,8)9)13-2(6)4(10,11)12/h1-2H
InChIKey
ZHYAVWIJKVGASR-UHFFFAOYSA-N
Compound name
1,1,1,2-tetrachloro-2-(1,2,2,2-tetrachloroethoxy)ethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

345.76138 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.76866 180.7
[M+Na]+ 368.75060 183.2
[M-H]- 344.75410 170.5
[M+NH4]+ 363.79520 189.0
[M+K]+ 384.72454 182.2
[M+H-H2O]+ 328.75864 179.0
[M+HCOO]- 390.75958 160.6
[M+CH3COO]- 404.77523 213.1
[M+Na-2H]- 366.73605 174.5
[M]+ 345.76083 169.8
[M]- 345.76193 169.8
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