CID 7812615

(4r)-3,4-dihydro-2h-1-benzothiopyran-4-ol

Structural Information

Molecular Formula
C9H10OS
SMILES
C1CSC2=CC=CC=C2[C@@H]1O
InChI
InChI=1S/C9H10OS/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-4,8,10H,5-6H2/t8-/m1/s1
InChIKey
FWVSZXYNCFXKRT-MRVPVSSYSA-N
Compound name
(4R)-3,4-dihydro-2H-thiochromen-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

166.04524 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.05252 129.8
[M+Na]+ 189.03446 137.5
[M-H]- 165.03796 133.0
[M+NH4]+ 184.07906 151.5
[M+K]+ 205.00840 134.1
[M+H-H2O]+ 149.04250 125.0
[M+HCOO]- 211.04344 145.1
[M+CH3COO]- 225.05909 143.0
[M+Na-2H]- 187.01991 135.4
[M]+ 166.04469 128.1
[M]- 166.04579 128.1
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