CID 14316

3-acetylthianaphthene

Structural Information

Molecular Formula
C10H8OS
SMILES
CC(=O)C1=CSC2=CC=CC=C21
InChI
InChI=1S/C10H8OS/c1-7(11)9-6-12-10-5-3-2-4-8(9)10/h2-6H,1H3
InChIKey
ZTTZKDDWXHQKSY-UHFFFAOYSA-N
Compound name
1-(1-benzothiophen-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

274
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

literature stripe

Patent stripe

patents stripe