CID 17571587

3-(6-fluoro-1h-indol-1-yl)propanoic acid

Structural Information

Molecular Formula

C₁₁H₁₀FNO₂

SMILES

C1=CC(=CC2=C1C=CN2CCC(=O)O)F

InChI

InChI=1S/C11H10FNO2/c12-9-2-1-8-3-5-13(10(8)7-9)6-4-11(14)15/h1-3,5,7H,4,6H2,(H,14,15)

InChIKey

YRECVZUOVYPVTM-UHFFFAOYSA-N

Compound name

3-(6-fluoroindol-1-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 207.06955 Da
Monoisotopic Mass: 1.5
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]+	208.076826	140.9
[M+Na]+	230.058768	151.3
[M-H]-	206.062274	142.3
[M+NH4]+	225.103373	161.1
[M+K]+	246.032708	147.5
[M+H-H2O]+	190.066810	134.1
[M+HCOO]-	252.067751	162.7
[M+CH3COO]-	266.083401	183.5
[M+Na-2H]-	228.044216	146.1
[M]+	207.06900142	142.4
[M]-	207.07009858	142.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe