CID 60797456

2-(2-chlorophenyl)-1-(thiophen-3-yl)ethan-1-one

Structural Information

Molecular Formula
C12H9ClOS
SMILES
C1=CC=C(C(=C1)CC(=O)C2=CSC=C2)Cl
InChI
InChI=1S/C12H9ClOS/c13-11-4-2-1-3-9(11)7-12(14)10-5-6-15-8-10/h1-6,8H,7H2
InChIKey
IPIDOVGDKRPXHG-UHFFFAOYSA-N
Compound name
2-(2-chlorophenyl)-1-thiophen-3-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.00627 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.01355 149.7
[M+Na]+ 258.99549 163.9
[M+NH4]+ 254.04009 160.0
[M+K]+ 274.96943 155.3
[M-H]- 234.99899 154.3
[M+Na-2H]- 256.98094 158.0
[M]+ 236.00572 153.9
[M]- 236.00682 153.9
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

No patent data available for this compound.