CID 230983

22546-96-9

Structural Information

Molecular Formula
C10H10O2S
SMILES
CCOC1=CC2=C(C=C1)C(=CS2)O
InChI
InChI=1S/C10H10O2S/c1-2-12-7-3-4-8-9(11)6-13-10(8)5-7/h3-6,11H,2H2,1H3
InChIKey
IKSIVAMIINQNBN-UHFFFAOYSA-N
Compound name
6-ethoxy-1-benzothiophen-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

194.04015 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.04743 137.4
[M+Na]+ 217.02937 148.7
[M-H]- 193.03287 142.0
[M+NH4]+ 212.07397 160.5
[M+K]+ 233.00331 145.1
[M+H-H2O]+ 177.03741 133.0
[M+HCOO]- 239.03835 157.7
[M+CH3COO]- 253.05400 179.0
[M+Na-2H]- 215.01482 142.0
[M]+ 194.03960 143.1
[M]- 194.04070 143.1
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

No patent data available for this compound.