CID 91662888

6-fluoro-2-methyl-3-nitroaniline

Structural Information

Molecular Formula

C₇H₇FN₂O₂

SMILES

CC1=C(C=CC(=C1N)F)[N+](=O)[O-]

InChI

InChI=1S/C7H7FN2O2/c1-4-6(10(11)12)3-2-5(8)7(4)9/h2-3H,9H2,1H3

InChIKey

BKPALQLYSLKWGR-UHFFFAOYSA-N

Compound name

6-fluoro-2-methyl-3-nitroaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 170.04915 Da
Monoisotopic Mass: 1.5
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]+	171.05643	128.2
[M+Na]+	193.03837	140.7
[M+NH4]+	188.08297	136.1
[M+K]+	209.01231	138.0
[M-H]-	169.04187	130.8
[M+Na-2H]-	191.02382	134.2
[M]+	170.04860	130.4
[M]-	170.04970	130.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe