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

3068
Patents

238.05762 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.