CID 11423967

3-fluoro-4-nitrobenzamide

Structural Information

Molecular Formula

C₇H₅FN₂O₃

SMILES

C1=CC(=C(C=C1C(=O)N)F)[N+](=O)[O-]

InChI

InChI=1S/C7H5FN2O3/c8-5-3-4(7(9)11)1-2-6(5)10(12)13/h1-3H,(H2,9,11)

InChIKey

CKHYKLBLOPFXTB-UHFFFAOYSA-N

Compound name

3-fluoro-4-nitrobenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 92
Patents: 184.02843 Da
Monoisotopic Mass: 1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	185.03571	130.5
[M+Na]+	207.01765	141.8
[M+NH4]+	202.06225	137.4
[M+K]+	222.99159	140.2
[M-H]-	183.02115	132.0
[M+Na-2H]-	205.00310	135.8
[M]+	184.02788	132.1
[M]-	184.02898	132.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe