CID 4962027

104082-15-7

Structural Information

Molecular Formula
C9H10ClNO2S
SMILES
CC(=O)NCC1=CC=C(S1)C(=O)CCl
InChI
InChI=1S/C9H10ClNO2S/c1-6(12)11-5-7-2-3-9(14-7)8(13)4-10/h2-3H,4-5H2,1H3,(H,11,12)
InChIKey
BBDWEMUVRXBMRC-UHFFFAOYSA-N
Compound name
N-[[5-(2-chloroacetyl)thiophen-2-yl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

4
Patents

231.01208 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.01936 150.2
[M+Na]+ 254.00130 159.7
[M+NH4]+ 249.04590 158.1
[M+K]+ 269.97524 154.0
[M-H]- 230.00480 151.1
[M+Na-2H]- 251.98675 153.7
[M]+ 231.01153 152.2
[M]- 231.01263 152.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe