CID 122958

32776-56-0

Structural Information

Molecular Formula
C3H2Cl3F3O
SMILES
C(OC(C(F)(Cl)Cl)(F)F)Cl
InChI
InChI=1S/C3H2Cl3F3O/c4-1-10-3(8,9)2(5,6)7/h1H2
InChIKey
NHUGIBLDSYCOAQ-UHFFFAOYSA-N
Compound name
1,1-dichloro-2-(chloromethoxy)-1,2,2-trifluoroethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.91234 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.919616 129.6
[M+Na]+ 238.901558 139.8
[M-H]- 214.905064 125.2
[M+NH4]+ 233.946163 149.2
[M+K]+ 254.875498 135.3
[M+H-H2O]+ 198.909600 125.9
[M+HCOO]- 260.910541 133.6
[M+CH3COO]- 274.926191 183.8
[M+Na-2H]- 236.887006 135.8
[M]+ 215.91179142 129.1
[M]- 215.91288858 129.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.