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
2
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]+ 320.051576 161.2
[M+Na]+ 342.033518 169.5
[M-H]- 318.037024 156.2
[M+NH4]+ 337.078123 175.0
[M+K]+ 358.007458 166.4
[M+H-H2O]+ 302.041560 149.9
[M+HCOO]- 364.042501 173.4
[M+CH3COO]- 378.058151 207.1
[M+Na-2H]- 340.018966 165.1
[M]+ 319.04375142 152.3
[M]- 319.04484858 152.3
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.