CID 154699977

Ns00117693

Structural Information

Molecular Formula
C3HF5O2
SMILES
C(OC(C(=O)F)(F)F)(F)F
InChI
InChI=1S/C3HF5O2/c4-1(9)3(7,8)10-2(5)6/h2H
InChIKey
TVUMCYGRGFDDJV-UHFFFAOYSA-N
Compound name
2-(difluoromethoxy)-2,2-difluoroacetyl fluoride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

163.98967 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.996946 121.4
[M+Na]+ 186.978888 130.2
[M-H]- 162.982394 115.7
[M+NH4]+ 182.023493 141.6
[M+K]+ 202.952828 130.3
[M+H-H2O]+ 146.986930 113.3
[M+HCOO]- 208.987871 137.9
[M+CH3COO]- 223.003521 177.4
[M+Na-2H]- 184.964336 125.4
[M]+ 163.98912142 115.5
[M]- 163.99021858 115.5
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

No patent data available for this compound.