CID 157151

4,5-difluoro-2-nitroaniline

Structural Information

Molecular Formula

C₆H₄F₂N₂O₂

SMILES

C1=C(C(=CC(=C1F)F)[N+](=O)[O-])N

InChI

InChI=1S/C6H4F2N2O2/c7-3-1-5(9)6(10(11)12)2-4(3)8/h1-2H,9H2

InChIKey

WDMCABATCGQAKK-UHFFFAOYSA-N

Compound name

4,5-difluoro-2-nitroaniline

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 628
Patents: 174.02408 Da
Monoisotopic Mass: 1.4
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]+	175.031356	126.4
[M+Na]+	197.013298	136.0
[M-H]-	173.016804	128.1
[M+NH4]+	192.057903	145.9
[M+K]+	212.987238	129.8
[M+H-H2O]+	157.021340	124.0
[M+HCOO]-	219.022281	151.5
[M+CH3COO]-	233.037931	176.3
[M+Na-2H]-	194.998746	133.2
[M]+	174.02353142	121.3
[M]-	174.02462858	121.3

Literature stripe

literature stripe

Patent stripe

patents stripe