CID 561513

Dtxsid90896550

Structural Information

Molecular Formula
C13H8F11NO2
SMILES
C1=CC=C(C=C1)CNC(=O)C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C13H8F11NO2/c14-9(11(17,18)19,8(26)25-6-7-4-2-1-3-5-7)27-13(23,24)10(15,16)12(20,21)22/h1-5H,6H2,(H,25,26)
InChIKey
MBYGYAYBAZPQOT-UHFFFAOYSA-N
Compound name
N-benzyl-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

419.03793 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.04521 181.7
[M+Na]+ 442.02715 189.4
[M-H]- 418.03065 171.9
[M+NH4]+ 437.07175 190.8
[M+K]+ 458.00109 185.4
[M+H-H2O]+ 402.03519 167.4
[M+HCOO]- 464.03613 185.9
[M+CH3COO]- 478.05178 223.5
[M+Na-2H]- 440.01260 185.1
[M]+ 419.03738 166.0
[M]- 419.03848 166.0
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.