CID 3627928

2,2,3,3,4,4,5,5,5-nonafluoro-n-(4-nitrophenyl)pentanamide

Structural Information

Molecular Formula
C11H5F9N2O3
SMILES
C1=CC(=CC=C1NC(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)[N+](=O)[O-]
InChI
InChI=1S/C11H5F9N2O3/c12-8(13,9(14,15)10(16,17)11(18,19)20)7(23)21-5-1-3-6(4-2-5)22(24)25/h1-4H,(H,21,23)
InChIKey
ODCGSXFIHQYHBY-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,5-nonafluoro-N-(4-nitrophenyl)pentanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

384.01566 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.02294 164.9
[M+Na]+ 407.00488 172.6
[M-H]- 383.00838 157.9
[M+NH4]+ 402.04948 175.1
[M+K]+ 422.97882 165.3
[M+H-H2O]+ 367.01292 157.0
[M+HCOO]- 429.01386 174.7
[M+CH3COO]- 443.02951 211.8
[M+Na-2H]- 404.99033 172.3
[M]+ 384.01511 150.2
[M]- 384.01621 150.2
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.