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 152.7
[M+Na]+ 252.02202 161.2
[M-H]- 228.02552 158.5
[M+NH4]+ 247.06662 174.4
[M+K]+ 267.99596 157.5
[M+H-H2O]+ 212.03006 147.2
[M+HCOO]- 274.03100 165.5
[M+CH3COO]- 288.04665 183.7
[M+Na-2H]- 250.00747 150.0
[M]+ 229.03225 154.4
[M]- 229.03335 154.4
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.