CID 3013880

2-chloro-1-(dichloromethoxy)-1,1,2-trifluoroethane

Structural Information

Molecular Formula
C3H2Cl3F3O
SMILES
C(C(OC(Cl)Cl)(F)F)(F)Cl
InChI
InChI=1S/C3H2Cl3F3O/c4-1(7)3(8,9)10-2(5)6/h1-2H
InChIKey
FTIQRZXWIUQTJF-UHFFFAOYSA-N
Compound name
2-chloro-1-(dichloromethoxy)-1,1,2-trifluoroethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

215.91234 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.919616 127.0
[M+Na]+ 238.901558 136.5
[M-H]- 214.905064 122.5
[M+NH4]+ 233.946163 146.5
[M+K]+ 254.875498 132.4
[M+H-H2O]+ 198.909600 123.4
[M+HCOO]- 260.910541 130.8
[M+CH3COO]- 274.926191 184.9
[M+Na-2H]- 236.887006 130.5
[M]+ 215.91179142 126.1
[M]- 215.91288858 126.1
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