CID 4777738

6-fluoro-1-methyl-1h-indole-2-carboxylic acid

Structural Information

Molecular Formula

C₁₀H₈FNO₂

SMILES

CN1C(=CC2=C1C=C(C=C2)F)C(=O)O

InChI

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

InChIKey

RRLIRGDFAHPXSB-UHFFFAOYSA-N

Compound name

6-fluoro-1-methylindole-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 193.05391 Da
Monoisotopic Mass: 2.1
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]+	194.061186	135.7
[M+Na]+	216.043128	147.5
[M-H]-	192.046634	137.7
[M+NH4]+	211.087733	156.8
[M+K]+	232.017068	144.0
[M+H-H2O]+	176.051170	129.4
[M+HCOO]-	238.052111	157.9
[M+CH3COO]-	252.067761	181.7
[M+Na-2H]-	214.028576	140.8
[M]+	193.05336142	137.3
[M]-	193.05445858	137.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe