CID 14358678

1128-88-7

Structural Information

Molecular Formula
C10H8OS
SMILES
CC(=O)C1=CC2=C(C=C1)SC=C2
InChI
InChI=1S/C10H8OS/c1-7(11)8-2-3-10-9(6-8)4-5-12-10/h2-6H,1H3
InChIKey
LYPSYIWSZQVHAB-UHFFFAOYSA-N
Compound name
1-(1-benzothiophen-5-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

98
Patents

176.02959 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.036866 133.9
[M+Na]+ 199.018808 144.9
[M-H]- 175.022314 139.7
[M+NH4]+ 194.063413 158.0
[M+K]+ 214.992748 141.6
[M+H-H2O]+ 159.026850 129.3
[M+HCOO]- 221.027791 154.6
[M+CH3COO]- 235.043441 149.1
[M+Na-2H]- 197.004256 138.2
[M]+ 176.02904142 138.3
[M]- 176.03013858 138.3
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