CID 11983903

794521-56-5

Structural Information

Molecular Formula
C8H7NOS
SMILES
C1C2=C(C=CC(=C2)S)NC1=O
InChI
InChI=1S/C8H7NOS/c10-8-4-5-3-6(11)1-2-7(5)9-8/h1-3,11H,4H2,(H,9,10)
InChIKey
LHKRRKGHLHHDGS-UHFFFAOYSA-N
Compound name
5-sulfanyl-1,3-dihydroindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

165.02484 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.032116 130.8
[M+Na]+ 188.014058 141.3
[M-H]- 164.017564 133.5
[M+NH4]+ 183.058663 153.5
[M+K]+ 203.987998 137.5
[M+H-H2O]+ 148.022100 126.1
[M+HCOO]- 210.023041 147.5
[M+CH3COO]- 224.038691 144.8
[M+Na-2H]- 185.999506 134.2
[M]+ 165.02429142 131.3
[M]- 165.02538858 131.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe