CID 3302287

2,2,3,3,4,4,4-heptafluoro-n-(2-phenylpropyl)butanamide

Structural Information

Molecular Formula
C13H12F7NO
SMILES
CC(CNC(=O)C(C(C(F)(F)F)(F)F)(F)F)C1=CC=CC=C1
InChI
InChI=1S/C13H12F7NO/c1-8(9-5-3-2-4-6-9)7-21-10(22)11(14,15)12(16,17)13(18,19)20/h2-6,8H,7H2,1H3,(H,21,22)
InChIKey
SUAUDWRFVCXSIC-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,4-heptafluoro-N-(2-phenylpropyl)butanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

331.08072 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.08800 166.9
[M+Na]+ 354.06994 173.3
[M-H]- 330.07344 161.2
[M+NH4]+ 349.11454 179.9
[M+K]+ 370.04388 169.7
[M+H-H2O]+ 314.07798 155.2
[M+HCOO]- 376.07892 177.2
[M+CH3COO]- 390.09457 210.6
[M+Na-2H]- 352.05539 169.1
[M]+ 331.08017 156.2
[M]- 331.08127 156.2
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.