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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.04268 142.1
[M+Na]+ 230.02462 152.7
[M-H]- 206.02812 144.8
[M+NH4]+ 225.06922 163.2
[M+K]+ 245.99856 148.3
[M+H-H2O]+ 190.03266 137.2
[M+HCOO]- 252.03360 158.5
[M+CH3COO]- 266.04925 181.7
[M+Na-2H]- 228.01007 144.0
[M]+ 207.03485 144.4
[M]- 207.03595 144.4
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

patents stripe