CID 4962481

1-(5-phenylthiophen-2-yl)ethanone

Structural Information

Molecular Formula
C12H10OS
SMILES
CC(=O)C1=CC=C(S1)C2=CC=CC=C2
InChI
InChI=1S/C12H10OS/c1-9(13)11-7-8-12(14-11)10-5-3-2-4-6-10/h2-8H,1H3
InChIKey
SPXBZAHGTSZQLL-UHFFFAOYSA-N
Compound name
1-(5-phenylthiophen-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

144
Patents

202.04524 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.05252 143.2
[M+Na]+ 225.03446 156.6
[M+NH4]+ 220.07906 153.3
[M+K]+ 241.00840 148.9
[M-H]- 201.03796 147.8
[M+Na-2H]- 223.01991 151.5
[M]+ 202.04469 147.0
[M]- 202.04579 147.0
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