CID 1493

2,4-dinitrophenol

Structural Information

Molecular Formula

C₆H₄N₂O₅

SMILES

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

InChI

InChI=1S/C6H4N2O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H

InChIKey

UFBJCMHMOXMLKC-UHFFFAOYSA-N

Compound name

2,4-dinitrophenol

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 2190
References: 53622
Patents: 184.01202 Da
Monoisotopic Mass: 1.7
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]+	185.01930	136.1
[M+Na]+	207.00124	149.2
[M+NH4]+	202.04584	143.2
[M+K]+	222.97518	149.7
[M-H]-	183.00474	139.4
[M+Na-2H]-	204.98669	141.2
[M]+	184.01147	138.5
[M]-	184.01257	138.5

Literature stripe

literature stripe

Patent stripe

patents stripe