CID 11084050

1-benzothiophen-7-ol

Structural Information

Molecular Formula
C8H6OS
SMILES
C1=CC2=C(C(=C1)O)SC=C2
InChI
InChI=1S/C8H6OS/c9-7-3-1-2-6-4-5-10-8(6)7/h1-5,9H
InChIKey
GCMUDSUJOMUXKE-UHFFFAOYSA-N
Compound name
1-benzothiophen-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

295
Patents

150.01393 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.02121 124.9
[M+Na]+ 173.00315 136.5
[M-H]- 149.00665 129.6
[M+NH4]+ 168.04775 149.6
[M+K]+ 188.97709 132.9
[M+H-H2O]+ 133.01119 120.9
[M+HCOO]- 195.01213 145.7
[M+CH3COO]- 209.02778 140.5
[M+Na-2H]- 170.98860 131.1
[M]+ 150.01338 128.1
[M]- 150.01448 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