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

36
Patents

152.02959 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.036866 127.6
[M+Na]+ 175.018808 137.0
[M-H]- 151.022314 131.5
[M+NH4]+ 170.063413 151.9
[M+K]+ 190.992748 133.9
[M+H-H2O]+ 135.026850 123.5
[M+HCOO]- 197.027791 145.5
[M+CH3COO]- 211.043441 142.0
[M+Na-2H]- 173.004256 131.9
[M]+ 152.02904142 127.9
[M]- 152.03013858 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