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]+ 194.027016 137.6
[M+Na]+ 216.008958 148.6
[M-H]- 192.012464 140.5
[M+NH4]+ 211.053563 159.2
[M+K]+ 231.982898 144.5
[M+H-H2O]+ 176.017000 132.9
[M+HCOO]- 238.017941 154.4
[M+CH3COO]- 252.033591 178.7
[M+Na-2H]- 213.994406 140.0
[M]+ 193.01919142 139.5
[M]- 193.02028858 139.5
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