CID 3632425

5-methoxybenzo[b]thiophene

Structural Information

Molecular Formula
C9H8OS
SMILES
COC1=CC2=C(C=C1)SC=C2
InChI
InChI=1S/C9H8OS/c1-10-8-2-3-9-7(6-8)4-5-11-9/h2-6H,1H3
InChIKey
YUCSRVKBVKJMNH-UHFFFAOYSA-N
Compound name
5-methoxy-1-benzothiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

421
Patents

164.02959 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.03687 129.4
[M+Na]+ 187.01881 140.9
[M-H]- 163.02231 135.4
[M+NH4]+ 182.06341 154.3
[M+K]+ 202.99275 138.1
[M+H-H2O]+ 147.02685 124.9
[M+HCOO]- 209.02779 151.4
[M+CH3COO]- 223.04344 145.2
[M+Na-2H]- 185.00426 135.4
[M]+ 164.02904 134.8
[M]- 164.03014 134.8
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

No patent data available for this compound.