CID 165342104

2-[1-(chlorodifluoromethyl)-1,2,2,2-tetrafluoroethoxy]-2,2-difluoroacetyl fluoride

Structural Information

Molecular Formula
C5ClF9O2
SMILES
C(=O)(C(OC(C(F)(F)F)(C(F)(F)Cl)F)(F)F)F
InChI
InChI=1S/C5ClF9O2/c6-4(11,12)3(10,5(13,14)15)17-2(8,9)1(7)16
InChIKey
LBBQZDMQCFIYCV-UHFFFAOYSA-N
Compound name
2-(1-chloro-1,1,2,3,3,3-hexafluoropropan-2-yl)oxy-2,2-difluoroacetyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.9443 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.95158 142.9
[M+Na]+ 320.93352 153.4
[M-H]- 296.93702 133.1
[M+NH4]+ 315.97812 158.4
[M+K]+ 336.90746 150.1
[M+H-H2O]+ 280.94156 133.3
[M+HCOO]- 342.94250 146.8
[M+CH3COO]- 356.95815 199.1
[M+Na-2H]- 318.91897 147.6
[M]+ 297.94375 132.9
[M]- 297.94485 132.9
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.