CID 4962340

2-chloro-n-[2-(thiophen-2-yl)ethyl]propanamide

Structural Information

Molecular Formula
C9H12ClNOS
SMILES
CC(C(=O)NCCC1=CC=CS1)Cl
InChI
InChI=1S/C9H12ClNOS/c1-7(10)9(12)11-5-4-8-3-2-6-13-8/h2-3,6-7H,4-5H2,1H3,(H,11,12)
InChIKey
LQONMZBNDVUHIC-UHFFFAOYSA-N
Compound name
2-chloro-N-(2-thiophen-2-ylethyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

217.0328 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.04008 147.5
[M+Na]+ 240.02202 157.2
[M+NH4]+ 235.06662 156.3
[M+K]+ 255.99596 150.8
[M-H]- 216.02552 149.2
[M+Na-2H]- 238.00747 151.8
[M]+ 217.03225 149.9
[M]- 217.03335 149.9
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