CID 121617

3,4-dihydro-2h-1-benzothiopyran-8-ol

Structural Information

Molecular Formula
C9H10OS
SMILES
C1CC2=C(C(=CC=C2)O)SC1
InChI
InChI=1S/C9H10OS/c10-8-5-1-3-7-4-2-6-11-9(7)8/h1,3,5,10H,2,4,6H2
InChIKey
RGGVNXXEMZOMQS-UHFFFAOYSA-N
Compound name
3,4-dihydro-2H-thiochromen-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

166.04524 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.05252 130.3
[M+Na]+ 189.03446 143.3
[M+NH4]+ 184.07906 141.2
[M+K]+ 205.00840 134.1
[M-H]- 165.03796 133.8
[M+Na-2H]- 187.01991 137.0
[M]+ 166.04469 133.7
[M]- 166.04579 133.7
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

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