CID 3011457

3-fluoro-n-(4-nitro-2-pyridyl)benzamide

Structural Information

Molecular Formula
C12H8FN3O3
SMILES
C1=CC(=CC(=C1)F)C(=O)NC2=NC=CC(=C2)[N+](=O)[O-]
InChI
InChI=1S/C12H8FN3O3/c13-9-3-1-2-8(6-9)12(17)15-11-7-10(16(18)19)4-5-14-11/h1-7H,(H,14,15,17)
InChIKey
FXFHGWLYGIOMEQ-UHFFFAOYSA-N
Compound name
3-fluoro-N-(4-nitropyridin-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

261.05496 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.06224 152.0
[M+Na]+ 284.04418 158.8
[M-H]- 260.04768 156.5
[M+NH4]+ 279.08878 165.7
[M+K]+ 300.01812 151.4
[M+H-H2O]+ 244.05222 147.1
[M+HCOO]- 306.05316 176.2
[M+CH3COO]- 320.06881 191.0
[M+Na-2H]- 282.02963 159.8
[M]+ 261.05441 148.6
[M]- 261.05551 148.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.