CID 54890026

2-(2-fluorophenyl)-2-(phenylamino)acetic acid

Structural Information

Molecular Formula

C₁₄H₁₂FNO₂

SMILES

C1=CC=C(C=C1)NC(C2=CC=CC=C2F)C(=O)O

InChI

InChI=1S/C14H12FNO2/c15-12-9-5-4-8-11(12)13(14(17)18)16-10-6-2-1-3-7-10/h1-9,13,16H,(H,17,18)

InChIKey

ACPNBZSGLDLKAZ-UHFFFAOYSA-N

Compound name

2-anilino-2-(2-fluorophenyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 245.0852 Da
Monoisotopic Mass: 3.3
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]+	246.092476	152.7
[M+Na]+	268.074418	158.6
[M-H]-	244.077924	156.7
[M+NH4]+	263.119023	168.4
[M+K]+	284.048358	154.8
[M+H-H2O]+	228.082460	144.4
[M+HCOO]-	290.083401	174.2
[M+CH3COO]-	304.099051	193.2
[M+Na-2H]-	266.059866	156.9
[M]+	245.08465142	149.4
[M]-	245.08574858	149.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe