CID 12373493

2-ethylbenzo[b]thiophene-3-carbaldehyde

Structural Information

Molecular Formula
C11H10OS
SMILES
CCC1=C(C2=CC=CC=C2S1)C=O
InChI
InChI=1S/C11H10OS/c1-2-10-9(7-12)8-5-3-4-6-11(8)13-10/h3-7H,2H2,1H3
InChIKey
UWJLUCSEPRXAGO-UHFFFAOYSA-N
Compound name
2-ethyl-1-benzothiophene-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

190.04524 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.05252 137.4
[M+Na]+ 213.03446 149.2
[M-H]- 189.03796 143.3
[M+NH4]+ 208.07906 161.4
[M+K]+ 229.00840 145.2
[M+H-H2O]+ 173.04250 132.7
[M+HCOO]- 235.04344 158.8
[M+CH3COO]- 249.05909 181.8
[M+Na-2H]- 211.01991 141.7
[M]+ 190.04469 143.1
[M]- 190.04579 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

No literature data available for this compound.

Patent stripe

patents stripe