CID 5086467

(2-naphthalenyl)perfluorobutanamide

Structural Information

Molecular Formula
C14H8F7NO
SMILES
C1=CC=C2C=C(C=CC2=C1)NC(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C14H8F7NO/c15-12(16,13(17,18)14(19,20)21)11(23)22-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,22,23)
InChIKey
FJLOSCMSQHIRBF-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,4-heptafluoro-N-naphthalen-2-ylbutanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

339.0494 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.05668 168.7
[M+Na]+ 362.03862 177.3
[M-H]- 338.04212 164.3
[M+NH4]+ 357.08322 182.6
[M+K]+ 378.01256 172.1
[M+H-H2O]+ 322.04666 156.9
[M+HCOO]- 384.04760 179.4
[M+CH3COO]- 398.06325 211.4
[M+Na-2H]- 360.02407 174.0
[M]+ 339.04885 158.6
[M]- 339.04995 158.6
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.