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 134.1
[M+Na]+ 199.01881 147.8
[M+NH4]+ 194.06341 144.7
[M+K]+ 214.99275 140.3
[M-H]- 175.02231 137.3
[M+Na-2H]- 197.00426 141.1
[M]+ 176.02904 137.6
[M]- 176.03014 137.6
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