CID 3562610

(acetyl-4-fluoroanilino)acetic acid

Structural Information

Molecular Formula

C₁₀H₁₀FNO₃

SMILES

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

InChI

InChI=1S/C10H10FNO3/c1-7(13)12(6-10(14)15)9-4-2-8(11)3-5-9/h2-5H,6H2,1H3,(H,14,15)

InChIKey

JLPNGLJHJLOCCZ-UHFFFAOYSA-N

Compound name

2-(N-acetyl-4-fluoroanilino)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 211.06447 Da
Monoisotopic Mass: 1.0
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]+	212.07175	142.6
[M+Na]+	234.05369	149.4
[M-H]-	210.05719	145.1
[M+NH4]+	229.09829	160.8
[M+K]+	250.02763	148.6
[M+H-H2O]+	194.06173	135.5
[M+HCOO]-	256.06267	164.9
[M+CH3COO]-	270.07832	189.4
[M+Na-2H]-	232.03914	145.5
[M]+	211.06392	142.3
[M]-	211.06502	142.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe