CID 448573

Fica

Structural Information

Molecular Formula

C₁₁H₁₁FN₂OS

SMILES

C1=CC2=C(C=C1F)C=C(N2)C(=O)NCCS

InChI

InChI=1S/C11H11FN2OS/c12-8-1-2-9-7(5-8)6-10(14-9)11(15)13-3-4-16/h1-2,5-6,14,16H,3-4H2,(H,13,15)

InChIKey

JFUIHGAGFMFNRD-UHFFFAOYSA-N

Compound name

5-fluoro-N-(2-sulfanylethyl)-1H-indole-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 28
References: 2692
Patents: 238.05762 Da
Monoisotopic Mass: 2.0
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]+	239.06490	148.0
[M+Na]+	261.04684	158.0
[M-H]-	237.05034	149.5
[M+NH4]+	256.09144	167.4
[M+K]+	277.02078	152.9
[M+H-H2O]+	221.05488	141.2
[M+HCOO]-	283.05582	165.5
[M+CH3COO]-	297.07147	189.4
[M+Na-2H]-	259.03229	150.8
[M]+	238.05707	149.8
[M]-	238.05817	149.8

Literature stripe

literature stripe

Patent stripe

patents stripe