CID 71672887

N,n-diethyl-2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propanamide

Structural Information

Molecular Formula
C13H10F17NO3
SMILES
CCN(CC)C(=O)C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F
InChI
InChI=1S/C13H10F17NO3/c1-3-31(4-2)5(32)6(14,9(18,19)20)33-13(29,30)8(17,11(24,25)26)34-12(27,28)7(15,16)10(21,22)23/h3-4H2,1-2H3
InChIKey
MEEVEXZVBMARMB-UHFFFAOYSA-N
Compound name
N,N-diethyl-2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

551.03894 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 552.04622 181.6
[M+Na]+ 574.02816 189.1
[M-H]- 550.03166 192.9
[M+NH4]+ 569.07276 195.4
[M+K]+ 590.00210 197.2
[M+H-H2O]+ 534.03620 172.5
[M+HCOO]- 596.03714 198.1
[M+CH3COO]- 610.05279 248.1
[M+Na-2H]- 572.01361 180.8
[M]+ 551.03839 179.5
[M]- 551.03949 179.5
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.