CID 22009835

2-chloro-n-[2-oxo-2-(thiophen-2-yl)ethyl]acetamide

Structural Information

Molecular Formula
C8H8ClNO2S
SMILES
C1=CSC(=C1)C(=O)CNC(=O)CCl
InChI
InChI=1S/C8H8ClNO2S/c9-4-8(12)10-5-6(11)7-2-1-3-13-7/h1-3H,4-5H2,(H,10,12)
InChIKey
DYAYRHYBDDIRTD-UHFFFAOYSA-N
Compound name
2-chloro-N-(2-oxo-2-thiophen-2-ylethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

216.99643 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.003706 146.1
[M+Na]+ 239.985648 153.8
[M-H]- 215.989154 150.0
[M+NH4]+ 235.030253 167.2
[M+K]+ 255.959588 150.2
[M+H-H2O]+ 199.993690 141.2
[M+HCOO]- 261.994631 161.5
[M+CH3COO]- 276.010281 184.1
[M+Na-2H]- 237.971096 146.7
[M]+ 216.99588142 149.8
[M]- 216.99697858 149.8
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