CID 20577070

Methyl 2-amino-5-fluoro-3-nitrobenzoate

Structural Information

Molecular Formula

C₈H₇FN₂O₄

SMILES

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

InChI

InChI=1S/C8H7FN2O4/c1-15-8(12)5-2-4(9)3-6(7(5)10)11(13)14/h2-3H,10H2,1H3

InChIKey

DQKJPBJOMJODBX-UHFFFAOYSA-N

Compound name

methyl 2-amino-5-fluoro-3-nitrobenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 214.03899 Da
Monoisotopic Mass: 1.6
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]+	215.04627	138.4
[M+Na]+	237.02821	149.4
[M+NH4]+	232.07281	144.5
[M+K]+	253.00215	148.2
[M-H]-	213.03171	139.4
[M+Na-2H]-	235.01366	142.7
[M]+	214.03844	139.7
[M]-	214.03954	139.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe