CID 81957143

1546901-77-2

Structural Information

Molecular Formula
C9H9NOS
SMILES
C1C(OC2=CC=CC=C21)C(=S)N
InChI
InChI=1S/C9H9NOS/c10-9(12)8-5-6-3-1-2-4-7(6)11-8/h1-4,8H,5H2,(H2,10,12)
InChIKey
ROSGKELESFMVHN-UHFFFAOYSA-N
Compound name
2,3-dihydro-1-benzofuran-2-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.04048 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.04776 135.5
[M+Na]+ 202.02970 144.0
[M-H]- 178.03320 140.6
[M+NH4]+ 197.07430 157.4
[M+K]+ 218.00364 141.8
[M+H-H2O]+ 162.03774 130.7
[M+HCOO]- 224.03868 153.2
[M+CH3COO]- 238.05433 149.3
[M+Na-2H]- 200.01515 138.9
[M]+ 179.03993 135.4
[M]- 179.04103 135.4
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

No patent data available for this compound.