CID 576338

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

Structural Information

Molecular Formula
C13H12F7NO
SMILES
C1=CC=C(C=C1)CCCNC(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C13H12F7NO/c14-11(15,12(16,17)13(18,19)20)10(22)21-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,21,22)
InChIKey
WSLOVKUTYAQMOA-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,4-heptafluoro-N-(3-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 167.8
[M+Na]+ 354.06994 174.5
[M-H]- 330.07344 162.0
[M+NH4]+ 349.11454 180.8
[M+K]+ 370.04388 170.2
[M+H-H2O]+ 314.07798 155.9
[M+HCOO]- 376.07892 179.1
[M+CH3COO]- 390.09457 209.8
[M+Na-2H]- 352.05539 171.0
[M]+ 331.08017 157.8
[M]- 331.08127 157.8
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.