CID 612417

13148-43-1

Structural Information

Molecular Formula

C₁₁H₇NO₄

SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)C=O

InChI

InChI=1S/C11H7NO4/c13-7-10-4-5-11(16-10)8-2-1-3-9(6-8)12(14)15/h1-7H

InChIKey

DXUACWQWQDJZMY-UHFFFAOYSA-N

Compound name

5-(3-nitrophenyl)furan-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 89
Patents: 217.0375 Da
Monoisotopic Mass: 2.3
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]+	218.04478	143.1
[M+Na]+	240.02672	157.3
[M+NH4]+	235.07132	151.2
[M+K]+	256.00066	155.8
[M-H]-	216.03022	149.0
[M+Na-2H]-	238.01217	150.5
[M]+	217.03695	146.7
[M]-	217.03805	146.7

Literature stripe

literature stripe

Patent stripe

patents stripe