CID 18385102

310886-98-7

Structural Information

Molecular Formula

C₁₀H₈FNO₂

SMILES

CN1C=C(C2=C1C=CC(=C2)F)C(=O)O

InChI

InChI=1S/C10H8FNO2/c1-12-5-8(10(13)14)7-4-6(11)2-3-9(7)12/h2-5H,1H3,(H,13,14)

InChIKey

DYVWOGCIQANCRE-UHFFFAOYSA-N

Compound name

5-fluoro-1-methylindole-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 71
Patents: 193.05391 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]+	194.06119	135.7
[M+Na]+	216.04313	147.5
[M-H]-	192.04663	137.7
[M+NH4]+	211.08773	156.8
[M+K]+	232.01707	144.0
[M+H-H2O]+	176.05117	129.4
[M+HCOO]-	238.05211	157.9
[M+CH3COO]-	252.06776	181.7
[M+Na-2H]-	214.02858	140.8
[M]+	193.05336	137.3
[M]-	193.05446	137.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe