CID 13540121

Benzo[b]thiophen-6-ylmethanol

Structural Information

Molecular Formula
C9H8OS
SMILES
C1=CC(=CC2=C1C=CS2)CO
InChI
InChI=1S/C9H8OS/c10-6-7-1-2-8-3-4-11-9(8)5-7/h1-5,10H,6H2
InChIKey
VLGNAHUPIUNUGG-UHFFFAOYSA-N
Compound name
1-benzothiophen-6-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

164.02959 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.03687 129.8
[M+Na]+ 187.01881 143.6
[M+NH4]+ 182.06341 140.6
[M+K]+ 202.99275 135.9
[M-H]- 163.02231 133.0
[M+Na-2H]- 185.00426 137.0
[M]+ 164.02904 133.3
[M]- 164.03014 133.3
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