CID 532102

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

Structural Information

Molecular Formula
C11H8F7NO2
SMILES
COC1=CC=C(C=C1)NC(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H8F7NO2/c1-21-7-4-2-6(3-5-7)19-8(20)9(12,13)10(14,15)11(16,17)18/h2-5H,1H3,(H,19,20)
InChIKey
DQKFVVPVNVSDOM-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,4-heptafluoro-N-(4-methoxyphenyl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.0443 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.05158 179.3
[M+Na]+ 342.03352 181.8
[M+NH4]+ 337.07812 179.7
[M+K]+ 358.00746 179.0
[M-H]- 318.03702 171.6
[M+Na-2H]- 340.01897 178.4
[M]+ 319.04375 177.0
[M]- 319.04485 177.0
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.