CID 11019830

Chloromethyl 2,2,2-trichloroethyl ether

Structural Information

Molecular Formula
C3H4Cl4O
SMILES
C(C(Cl)(Cl)Cl)OCCl
InChI
InChI=1S/C3H4Cl4O/c4-2-8-1-3(5,6)7/h1-2H2
InChIKey
GXHPCVJGAHVTGO-UHFFFAOYSA-N
Compound name
1,1,1-trichloro-2-(chloromethoxy)ethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

195.90163 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.90891 134.0
[M+Na]+ 218.89085 143.1
[M-H]- 194.89435 131.6
[M+NH4]+ 213.93545 153.8
[M+K]+ 234.86479 138.8
[M+H-H2O]+ 178.89889 133.0
[M+HCOO]- 240.89983 136.5
[M+CH3COO]- 254.91548 181.5
[M+Na-2H]- 216.87630 139.1
[M]+ 195.90108 135.7
[M]- 195.90218 135.7
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