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

33
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 137.0
[M-H]- 151.02231 131.5
[M+NH4]+ 170.06341 151.9
[M+K]+ 190.99275 133.9
[M+H-H2O]+ 135.02685 123.5
[M+HCOO]- 197.02779 145.5
[M+CH3COO]- 211.04344 142.0
[M+Na-2H]- 173.00426 131.9
[M]+ 152.02904 127.9
[M]- 152.03014 127.9
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