CID 130064419

1427439-70-0

Structural Information

Molecular Formula

C₉H₁₀FNO₃

SMILES

COC1=C(C=CC(=C1F)C(=O)OC)N

InChI

InChI=1S/C9H10FNO3/c1-13-8-6(11)4-3-5(7(8)10)9(12)14-2/h3-4H,11H2,1-2H3

InChIKey

WZDGEDJKYQGIGC-UHFFFAOYSA-N

Compound name

methyl 4-amino-2-fluoro-3-methoxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 199.06447 Da
Monoisotopic Mass: 1.2
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]+	200.07175	140.6
[M+Na]+	222.05369	151.4
[M+NH4]+	217.09829	147.2
[M+K]+	238.02763	146.9
[M-H]-	198.05719	140.7
[M+Na-2H]-	220.03914	145.2
[M]+	199.06392	141.9
[M]-	199.06502	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe