CID 2782834

3-fluoro-2-nitroaniline

Structural Information

Molecular Formula

C₆H₅FN₂O₂

SMILES

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

InChI

InChI=1S/C6H5FN2O2/c7-4-2-1-3-5(8)6(4)9(10)11/h1-3H,8H2

InChIKey

NSFGNLQLWFZHKK-UHFFFAOYSA-N

Compound name

3-fluoro-2-nitroaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 289
Patents: 156.03351 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]+	157.04079	123.4
[M+Na]+	179.02273	135.8
[M+NH4]+	174.06733	131.4
[M+K]+	194.99667	133.1
[M-H]-	155.02623	125.9
[M+Na-2H]-	177.00818	129.9
[M]+	156.03296	125.6
[M]-	156.03406	125.6

Literature stripe

literature stripe

Patent stripe

patents stripe