CID 112160

3-(1-(difluoro((trifluorovinyl)oxy)methyl)tetrafluoroethoxy)tetrafluoropropionitrile

Structural Information

Molecular Formula
C8F13NO2
SMILES
C(#N)C(C(OC(C(OC(=C(F)F)F)(F)F)(C(F)(F)F)F)(F)F)(F)F
InChI
InChI=1S/C8F13NO2/c9-2(10)3(11)23-8(20,21)5(14,6(15,16)17)24-7(18,19)4(12,13)1-22
InChIKey
LYIPDZSLYLDLCU-UHFFFAOYSA-N
Compound name
2,2,3,3-tetrafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropanenitrile
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1721
Patents

388.97214 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.97942 157.1
[M+Na]+ 411.96136 165.4
[M-H]- 387.96486 143.9
[M+NH4]+ 407.00596 165.9
[M+K]+ 427.93530 165.1
[M+H-H2O]+ 371.96940 138.2
[M+HCOO]- 433.97034 157.0
[M+CH3COO]- 447.98599 225.5
[M+Na-2H]- 409.94681 158.3
[M]+ 388.97159 135.4
[M]- 388.97269 135.4
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

patents stripe