CID 687090

2-phenyl-1-(2-thienyl)ethanone

Structural Information

Molecular Formula
C12H10OS
SMILES
C1=CC=C(C=C1)CC(=O)C2=CC=CS2
InChI
InChI=1S/C12H10OS/c13-11(12-7-4-8-14-12)9-10-5-2-1-3-6-10/h1-8H,9H2
InChIKey
HXMVINSKZVYIDI-UHFFFAOYSA-N
Compound name
2-phenyl-1-thiophen-2-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

93
Patents

202.04524 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.05252 143.7
[M+Na]+ 225.03446 151.9
[M-H]- 201.03796 150.9
[M+NH4]+ 220.07906 165.0
[M+K]+ 241.00840 148.3
[M+H-H2O]+ 185.04250 137.6
[M+HCOO]- 247.04344 164.0
[M+CH3COO]- 261.05909 181.9
[M+Na-2H]- 223.01991 145.8
[M]+ 202.04469 145.5
[M]- 202.04579 145.5
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