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]+ 180.047756 135.5
[M+Na]+ 202.029698 144.0
[M-H]- 178.033204 140.6
[M+NH4]+ 197.074303 157.4
[M+K]+ 218.003638 141.8
[M+H-H2O]+ 162.037740 130.7
[M+HCOO]- 224.038681 153.2
[M+CH3COO]- 238.054331 149.3
[M+Na-2H]- 200.015146 138.9
[M]+ 179.03993142 135.4
[M]- 179.04102858 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.