CID 3054402

Brn 2857864

Structural Information

Molecular Formula

C₁₅H₁₄FNO₂

SMILES

C1=CC=C(C=C1)C(C2=CC=C(C=C2)F)NCC(=O)O

InChI

InChI=1S/C15H14FNO2/c16-13-8-6-12(7-9-13)15(17-10-14(18)19)11-4-2-1-3-5-11/h1-9,15,17H,10H2,(H,18,19)

InChIKey

BDAKANVSWOYOHW-UHFFFAOYSA-N

Compound name

2-[[(4-fluorophenyl)-phenylmethyl]amino]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 259.10086 Da
Monoisotopic Mass: 0.4
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]+	260.108136	157.3
[M+Na]+	282.090078	162.8
[M-H]-	258.093584	161.1
[M+NH4]+	277.134683	172.5
[M+K]+	298.064018	158.7
[M+H-H2O]+	242.098120	148.8
[M+HCOO]-	304.099061	178.4
[M+CH3COO]-	318.114711	196.2
[M+Na-2H]-	280.075526	161.0
[M]+	259.10031142	154.4
[M]-	259.10140858	154.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe