CID 578045

4-nitrophenyl salicylate

Structural Information

Molecular Formula

C₁₃H₉NO₅

SMILES

C1=CC=C(C(=C1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C13H9NO5/c15-12-4-2-1-3-11(12)13(16)19-10-7-5-9(6-8-10)14(17)18/h1-8,15H

InChIKey

XSTIAAYONYIWGB-UHFFFAOYSA-N

Compound name

(4-nitrophenyl) 2-hydroxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 22
Patents: 259.04807 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]+	260.055346	153.4
[M+Na]+	282.037288	159.9
[M-H]-	258.040794	159.2
[M+NH4]+	277.081893	168.1
[M+K]+	298.011228	153.4
[M+H-H2O]+	242.045330	150.5
[M+HCOO]-	304.046271	177.4
[M+CH3COO]-	318.061921	185.4
[M+Na-2H]-	280.022736	160.1
[M]+	259.04752142	152.6
[M]-	259.04861858	152.6

Literature stripe

literature stripe

Patent stripe

patents stripe