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 148.3
[M+Na]+ 240.02202 155.5
[M-H]- 216.02552 152.0
[M+NH4]+ 235.06662 169.6
[M+K]+ 255.99596 151.7
[M+H-H2O]+ 200.03006 143.3
[M+HCOO]- 262.03100 162.9
[M+CH3COO]- 276.04665 186.0
[M+Na-2H]- 238.00747 148.2
[M]+ 217.03225 151.6
[M]- 217.03335 151.6
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