CID 28581825

Ethyl 2-[(2-fluorophenyl)amino]acetate

Structural Information

Molecular Formula

C₁₀H₁₂FNO₂

SMILES

CCOC(=O)CNC1=CC=CC=C1F

InChI

InChI=1S/C10H12FNO2/c1-2-14-10(13)7-12-9-6-4-3-5-8(9)11/h3-6,12H,2,7H2,1H3

InChIKey

DSNIYVJASXKFFZ-UHFFFAOYSA-N

Compound name

ethyl 2-(2-fluoroanilino)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 197.0852 Da
Monoisotopic Mass: 2.3
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]+	198.092476	140.6
[M+Na]+	220.074418	147.7
[M-H]-	196.077924	143.0
[M+NH4]+	215.119023	159.7
[M+K]+	236.048358	146.0
[M+H-H2O]+	180.082460	133.4
[M+HCOO]-	242.083401	164.5
[M+CH3COO]-	256.099051	186.3
[M+Na-2H]-	218.059866	146.0
[M]+	197.08465142	140.8
[M]-	197.08574858	140.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.