CID 71672723

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

Structural Information

Molecular Formula
C17H18F17NO3
SMILES
CCCCN(CCCC)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/C17H18F17NO3/c1-3-5-7-35(8-6-4-2)9(36)10(18,13(22,23)24)37-17(33,34)12(21,15(28,29)30)38-16(31,32)11(19,20)14(25,26)27/h3-8H2,1-2H3
InChIKey
HIKBKKZYHFXKJZ-UHFFFAOYSA-N
Compound name
N,N-dibutyl-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
1
Annotation Hits

0
References

0
Patents

607.1015 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 608.10878 155.7
[M+Na]+ 630.09072 155.8
[M+NH4]+ 625.13532 155.9
[M+K]+ 646.06466 156.0
[M-H]- 606.09422 155.6
[M+Na-2H]- 628.07617 155.5
[M]+ 607.10095 155.8
[M]- 607.10205 155.8
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.