CID 21481233

6-(ethylsulfanyl)-2,3-dihydro-1h-indole-2,3-dione

Structural Information

Molecular Formula

C₁₀H₉NO₂S

SMILES

CCSC1=CC2=C(C=C1)C(=O)C(=O)N2

InChI

InChI=1S/C10H9NO2S/c1-2-14-6-3-4-7-8(5-6)11-10(13)9(7)12/h3-5H,2H2,1H3,(H,11,12,13)

InChIKey

FGVIVDHQEMLTBB-UHFFFAOYSA-N

Compound name

6-ethylsulfanyl-1H-indole-2,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 207.0354 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]+	208.042676	142.1
[M+Na]+	230.024618	152.7
[M-H]-	206.028124	144.8
[M+NH4]+	225.069223	163.2
[M+K]+	245.998558	148.3
[M+H-H2O]+	190.032660	137.2
[M+HCOO]-	252.033601	158.5
[M+CH3COO]-	266.049251	181.7
[M+Na-2H]-	228.010066	144.0
[M]+	207.03485142	144.4
[M]-	207.03594858	144.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe