CID 13532087

98926-59-1

Structural Information

Molecular Formula

C₁₁H₁₄FNO₂

SMILES

CCOC(=O)C(C)NC1=CC=C(C=C1)F

InChI

InChI=1S/C11H14FNO2/c1-3-15-11(14)8(2)13-10-6-4-9(12)5-7-10/h4-8,13H,3H2,1-2H3

InChIKey

OGSKLRNKYVULDT-UHFFFAOYSA-N

Compound name

ethyl 2-(4-fluoroanilino)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 211.10086 Da
Monoisotopic Mass: 2.7
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]+	212.10814	145.7
[M+Na]+	234.09008	152.1
[M-H]-	210.09358	148.0
[M+NH4]+	229.13468	164.2
[M+K]+	250.06402	150.7
[M+H-H2O]+	194.09812	138.4
[M+HCOO]-	256.09906	168.3
[M+CH3COO]-	270.11471	190.2
[M+Na-2H]-	232.07553	149.3
[M]+	211.10031	145.6
[M]-	211.10141	145.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe