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
2
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 163.9
[M+Na]+ 387.01864 171.7
[M-H]- 363.02214 159.3
[M+NH4]+ 382.06324 175.2
[M+K]+ 402.99258 165.2
[M+H-H2O]+ 347.02668 157.2
[M+HCOO]- 409.02762 177.5
[M+CH3COO]- 423.04327 208.8
[M+Na-2H]- 385.00409 170.5
[M]+ 364.02887 154.2
[M]- 364.02997 154.2
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.