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

32
Patents

259.04807 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.05535 153.4
[M+Na]+ 282.03729 159.9
[M-H]- 258.04079 159.2
[M+NH4]+ 277.08189 168.1
[M+K]+ 298.01123 153.4
[M+H-H2O]+ 242.04533 150.5
[M+HCOO]- 304.04627 177.4
[M+CH3COO]- 318.06192 185.4
[M+Na-2H]- 280.02274 160.1
[M]+ 259.04752 152.6
[M]- 259.04862 152.6
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

patents stripe