CID 4231728

2,2,3,3,4,4,4-heptafluoro-n-(4-methoxy-2-nitrophenyl)butanamide

Structural Information

Molecular Formula
C11H7F7N2O4
SMILES
COC1=CC(=C(C=C1)NC(=O)C(C(C(F)(F)F)(F)F)(F)F)[N+](=O)[O-]
InChI
InChI=1S/C11H7F7N2O4/c1-24-5-2-3-6(7(4-5)20(22)23)19-8(21)9(12,13)10(14,15)11(16,17)18/h2-4H,1H3,(H,19,21)
InChIKey
SHNODLVFILNWJR-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,4-heptafluoro-N-(4-methoxy-2-nitrophenyl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.02942 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.03670 171.8
[M+Na]+ 387.01864 174.3
[M+NH4]+ 382.06324 171.6
[M+K]+ 402.99258 174.3
[M-H]- 363.02214 164.6
[M+Na-2H]- 385.00409 171.0
[M]+ 364.02887 169.5
[M]- 364.02997 169.5
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.