CID 3555291

N-(4-nitrophenyl)perfluorobutanamide

Structural Information

Molecular Formula
C10H5F7N2O3
SMILES
C1=CC(=CC=C1NC(=O)C(C(C(F)(F)F)(F)F)(F)F)[N+](=O)[O-]
InChI
InChI=1S/C10H5F7N2O3/c11-8(12,9(13,14)10(15,16)17)7(20)18-5-1-3-6(4-2-5)19(21)22/h1-4H,(H,18,20)
InChIKey
HQOLLMKLYTYSHA-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,4-heptafluoro-N-(4-nitrophenyl)butanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

334.01883 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.02611 156.3
[M+Na]+ 357.00805 163.9
[M-H]- 333.01155 151.5
[M+NH4]+ 352.05265 168.6
[M+K]+ 372.98199 156.9
[M+H-H2O]+ 317.01609 149.8
[M+HCOO]- 379.01703 170.1
[M+CH3COO]- 393.03268 202.7
[M+Na-2H]- 354.99350 163.7
[M]+ 334.01828 144.6
[M]- 334.01938 144.6
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.