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

110
Patents

176.02959 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.03687 133.9
[M+Na]+ 199.01881 144.9
[M-H]- 175.02231 139.7
[M+NH4]+ 194.06341 158.0
[M+K]+ 214.99275 141.6
[M+H-H2O]+ 159.02685 129.3
[M+HCOO]- 221.02779 154.6
[M+CH3COO]- 235.04344 149.1
[M+Na-2H]- 197.00426 138.2
[M]+ 176.02904 138.3
[M]- 176.03014 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