CID 99713677

Ethyl 5-amino-4-fluoro-2-methylbenzoate

Structural Information

Molecular Formula

C₁₀H₁₂FNO₂

SMILES

CCOC(=O)C1=CC(=C(C=C1C)F)N

InChI

InChI=1S/C10H12FNO2/c1-3-14-10(13)7-5-9(12)8(11)4-6(7)2/h4-5H,3,12H2,1-2H3

InChIKey

ZFPJZHDFUMVWEZ-UHFFFAOYSA-N

Compound name

ethyl 5-amino-4-fluoro-2-methylbenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 197.0852 Da
Monoisotopic Mass: 1.9
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]+	198.09248	142.1
[M+Na]+	220.07442	153.2
[M+NH4]+	215.11902	149.1
[M+K]+	236.04836	147.9
[M-H]-	196.07792	142.6
[M+Na-2H]-	218.05987	146.9
[M]+	197.08465	143.6
[M]-	197.08575	143.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe