CID 231261

3874-42-8

Structural Information

Molecular Formula

C₁₃H₉FN₂O₄

SMILES

C1=CC(=CC=C1NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])O)F

InChI

InChI=1S/C13H9FN2O4/c14-8-1-3-9(4-2-8)15-13(18)11-7-10(16(19)20)5-6-12(11)17/h1-7,17H,(H,15,18)

InChIKey

PEMUNBRFLLAHIT-UHFFFAOYSA-N

Compound name

N-(4-fluorophenyl)-2-hydroxy-5-nitrobenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 276.05463 Da
Monoisotopic Mass: 3.7
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]+	277.06191	155.5
[M+Na]+	299.04385	162.2
[M-H]-	275.04735	160.1
[M+NH4]+	294.08845	169.5
[M+K]+	315.01779	154.6
[M+H-H2O]+	259.05189	151.6
[M+HCOO]-	321.05283	179.3
[M+CH3COO]-	335.06848	192.1
[M+Na-2H]-	297.02930	161.4
[M]+	276.05408	152.0
[M]-	276.05518	152.0

Literature stripe

literature stripe

Patent stripe

patents stripe