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]+ 218.00371 145.5
[M+Na]+ 239.98565 154.1
[M-H]- 215.98915 149.2
[M+NH4]+ 235.03025 166.6
[M+K]+ 255.95959 150.0
[M+H-H2O]+ 199.99369 141.0
[M+HCOO]- 261.99463 160.3
[M+CH3COO]- 276.01028 185.2
[M+Na-2H]- 237.97110 144.5
[M]+ 216.99588 148.7
[M]- 216.99698 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.