CID 3032310

496-30-0

Structural Information

Molecular Formula
C8H7NS
SMILES
C1C2=CC=CC=C2NC1=S
InChI
InChI=1S/C8H7NS/c10-8-5-6-3-1-2-4-7(6)9-8/h1-4H,5H2,(H,9,10)
InChIKey
IGJWTYFTQNHSEK-UHFFFAOYSA-N
Compound name
1,3-dihydroindole-2-thione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

14
References

344
Patents

149.02992 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.03720 127.4
[M+Na]+ 172.01914 137.3
[M-H]- 148.02264 129.8
[M+NH4]+ 167.06374 150.5
[M+K]+ 187.99308 133.1
[M+H-H2O]+ 132.02718 122.6
[M+HCOO]- 194.02812 144.0
[M+CH3COO]- 208.04377 141.3
[M+Na-2H]- 170.00459 131.4
[M]+ 149.02937 126.1
[M]- 149.03047 126.1
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