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]+ 218.00371 146.1
[M+Na]+ 239.98565 153.8
[M-H]- 215.98915 150.0
[M+NH4]+ 235.03025 167.2
[M+K]+ 255.95959 150.2
[M+H-H2O]+ 199.99369 141.2
[M+HCOO]- 261.99463 161.5
[M+CH3COO]- 276.01028 184.1
[M+Na-2H]- 237.97110 146.7
[M]+ 216.99588 149.8
[M]- 216.99698 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