CID 19979350

913320-96-4

Structural Information

Molecular Formula

C₁₀H₆FNO₃

SMILES

C1=CC2=C(C=C1F)C(=CN2)C(=O)C(=O)O

InChI

InChI=1S/C10H6FNO3/c11-5-1-2-8-6(3-5)7(4-12-8)9(13)10(14)15/h1-4,12H,(H,14,15)

InChIKey

BUUWYPUCENIMIQ-UHFFFAOYSA-N

Compound name

2-(5-fluoro-1H-indol-3-yl)-2-oxoacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 207.03317 Da
Monoisotopic Mass: 1.6
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]+	208.04045	141.1
[M+Na]+	230.02239	151.9
[M+NH4]+	225.06699	147.2
[M+K]+	245.99633	149.5
[M-H]-	206.02589	139.0
[M+Na-2H]-	228.00784	144.7
[M]+	207.03262	141.6
[M]-	207.03372	141.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe