CID 12937899

2,3-dihydro-1-benzothiophen-6-ol

Structural Information

Molecular Formula
C8H8OS
SMILES
C1CSC2=C1C=CC(=C2)O
InChI
InChI=1S/C8H8OS/c9-7-2-1-6-3-4-10-8(6)5-7/h1-2,5,9H,3-4H2
InChIKey
ADLXYQZCQWIJGO-UHFFFAOYSA-N
Compound name
2,3-dihydro-1-benzothiophen-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

152.02959 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.03687 127.6
[M+Na]+ 175.01881 139.7
[M+NH4]+ 170.06341 138.4
[M+K]+ 190.99275 132.7
[M-H]- 151.02231 130.4
[M+Na-2H]- 173.00426 133.3
[M]+ 152.02904 130.6
[M]- 152.03014 130.6
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

patents stripe