CID 4962460

2-[5-(2-chloroacetyl)thiophen-2-yl]acetamide

Structural Information

Molecular Formula
C8H8ClNO2S
SMILES
C1=C(SC(=C1)C(=O)CCl)CC(=O)N
InChI
InChI=1S/C8H8ClNO2S/c9-4-6(11)7-2-1-5(13-7)3-8(10)12/h1-2H,3-4H2,(H2,10,12)
InChIKey
UIDGOBWQSBSEAW-UHFFFAOYSA-N
Compound name
2-[5-(2-chloroacetyl)thiophen-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.99643 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.003706 145.5
[M+Na]+ 239.985648 154.1
[M-H]- 215.989154 149.2
[M+NH4]+ 235.030253 166.6
[M+K]+ 255.959588 150.0
[M+H-H2O]+ 199.993690 141.0
[M+HCOO]- 261.994631 160.3
[M+CH3COO]- 276.010281 185.2
[M+Na-2H]- 237.971096 144.5
[M]+ 216.99588142 148.7
[M]- 216.99697858 148.7
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.