CID 50988889

2-chloro-1-[2-(thiophen-3-yl)pyrrolidin-1-yl]ethan-1-one

Structural Information

Molecular Formula
C10H12ClNOS
SMILES
C1CC(N(C1)C(=O)CCl)C2=CSC=C2
InChI
InChI=1S/C10H12ClNOS/c11-6-10(13)12-4-1-2-9(12)8-3-5-14-7-8/h3,5,7,9H,1-2,4,6H2
InChIKey
NLMJBFLSTICGSA-UHFFFAOYSA-N
Compound name
2-chloro-1-(2-thiophen-3-ylpyrrolidin-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.0328 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.04008 150.0
[M+Na]+ 252.02202 160.5
[M+NH4]+ 247.06662 159.3
[M+K]+ 267.99596 155.3
[M-H]- 228.02552 152.5
[M+Na-2H]- 250.00747 154.7
[M]+ 229.03225 152.8
[M]- 229.03335 152.8
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

No patent data available for this compound.