CID 52176015

2-chloro-n-{4h,5h,6h-cyclopenta[d][1,3]thiazol-2-yl}acetamide

Structural Information

Molecular Formula
C8H9ClN2OS
SMILES
C1CC2=C(C1)SC(=N2)NC(=O)CCl
InChI
InChI=1S/C8H9ClN2OS/c9-4-7(12)11-8-10-5-2-1-3-6(5)13-8/h1-4H2,(H,10,11,12)
InChIKey
JRHGKKOMFOJBAD-UHFFFAOYSA-N
Compound name
2-chloro-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.0124 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.01968 146.7
[M+Na]+ 239.00162 156.1
[M-H]- 215.00512 150.5
[M+NH4]+ 234.04622 169.9
[M+K]+ 254.97556 152.5
[M+H-H2O]+ 199.00966 142.0
[M+HCOO]- 261.01060 160.9
[M+CH3COO]- 275.02625 184.0
[M+Na-2H]- 236.98707 147.5
[M]+ 216.01185 149.8
[M]- 216.01295 149.8
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.