CID 3625317

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

Structural Information

Molecular Formula
C11H8F7NO2
SMILES
COC1=CC=CC(=C1)NC(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H8F7NO2/c1-21-7-4-2-3-6(5-7)19-8(20)9(12,13)10(14,15)11(16,17)18/h2-5H,1H3,(H,19,20)
InChIKey
RQKFJVQTGLVHSH-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,4-heptafluoro-N-(3-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]+ 320.05158 161.2
[M+Na]+ 342.03352 169.5
[M-H]- 318.03702 156.2
[M+NH4]+ 337.07812 175.0
[M+K]+ 358.00746 166.4
[M+H-H2O]+ 302.04156 149.9
[M+HCOO]- 364.04250 173.4
[M+CH3COO]- 378.05815 207.1
[M+Na-2H]- 340.01897 165.1
[M]+ 319.04375 152.3
[M]- 319.04485 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.