CID 43160720

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

Structural Information

Molecular Formula
C12H9ClOS
SMILES
C1=CC=C(C(=C1)CC(=O)C2=CC=CS2)Cl
InChI
InChI=1S/C12H9ClOS/c13-10-5-2-1-4-9(10)8-11(14)12-6-3-7-15-12/h1-7H,8H2
InChIKey
MSIPVKLMJDXETE-UHFFFAOYSA-N
Compound name
2-(2-chlorophenyl)-1-thiophen-2-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.00627 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.01355 150.1
[M+Na]+ 258.99549 159.8
[M-H]- 234.99899 157.6
[M+NH4]+ 254.04009 171.2
[M+K]+ 274.96943 154.5
[M+H-H2O]+ 219.00353 144.9
[M+HCOO]- 281.00447 165.7
[M+CH3COO]- 295.02012 163.7
[M+Na-2H]- 256.98094 151.1
[M]+ 236.00572 154.2
[M]- 236.00682 154.2
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