CID 3046755

Sl 75,046

Structural Information

Molecular Formula

C₁₇H₁₆FNO₃

SMILES

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

InChI

InChI=1S/C17H16FNO3/c18-14-8-3-1-6-12(14)17(19-11-5-10-16(21)22)13-7-2-4-9-15(13)20/h1-4,6-9,20H,5,10-11H2,(H,21,22)

InChIKey

QTGWPIVITBWXEI-UHFFFAOYSA-N

Compound name

4-[[(2-fluorophenyl)-(2-hydroxyphenyl)methylidene]amino]butanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 301.11142 Da
Monoisotopic Mass: 3.0
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]+	302.118696	168.6
[M+Na]+	324.100638	174.3
[M-H]-	300.104144	172.4
[M+NH4]+	319.145243	182.2
[M+K]+	340.074578	169.9
[M+H-H2O]+	284.108680	159.7
[M+HCOO]-	346.109621	189.4
[M+CH3COO]-	360.125271	204.1
[M+Na-2H]-	322.086086	170.5
[M]+	301.11087142	167.3
[M]-	301.11196858	167.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.