CID 563921

N-(phenylmethyl)perfluorobutanamide

Structural Information

Molecular Formula
C11H8F7NO
SMILES
C1=CC=C(C=C1)CNC(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H8F7NO/c12-9(13,10(14,15)11(16,17)18)8(20)19-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,19,20)
InChIKey
JGYHLDPCXQPJCA-UHFFFAOYSA-N
Compound name
N-benzyl-2,2,3,3,4,4,4-heptafluorobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

303.0494 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.05668 176.3
[M+Na]+ 326.03862 178.9
[M+NH4]+ 321.08322 177.0
[M+K]+ 342.01256 175.7
[M-H]- 302.04212 168.9
[M+Na-2H]- 324.02407 175.8
[M]+ 303.04885 174.1
[M]- 303.04995 174.1
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

patents stripe