CID 10465195

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

Structural Information

Molecular Formula
C9H7NO2S
SMILES
CSC1=CC2=C(C=C1)C(=O)C(=O)N2
InChI
InChI=1S/C9H7NO2S/c1-13-5-2-3-6-7(4-5)10-9(12)8(6)11/h2-4H,1H3,(H,10,11,12)
InChIKey
XCKPLMWRTAIYBU-UHFFFAOYSA-N
Compound name
6-methylsulfanyl-1H-indole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

193.01974 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.02702 139.9
[M+Na]+ 216.00896 151.8
[M+NH4]+ 211.05356 148.5
[M+K]+ 231.98290 145.5
[M-H]- 192.01246 140.8
[M+Na-2H]- 213.99441 143.5
[M]+ 193.01919 142.1
[M]- 193.02029 142.1
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