CID 3568544

304685-87-8

Structural Information

Molecular Formula
C10H9ClN2OS
SMILES
C1CC2=C(C1)SC(=C2C#N)NC(=O)CCl
InChI
InChI=1S/C10H9ClN2OS/c11-4-9(14)13-10-7(5-12)6-2-1-3-8(6)15-10/h1-4H2,(H,13,14)
InChIKey
IFPYPHZLEFBRSS-UHFFFAOYSA-N
Compound name
2-chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

240.0124 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.01968 162.2
[M+Na]+ 263.00162 174.5
[M-H]- 239.00512 167.2
[M+NH4]+ 258.04622 183.7
[M+K]+ 278.97556 168.2
[M+H-H2O]+ 223.00966 151.6
[M+HCOO]- 285.01060 174.0
[M+CH3COO]- 299.02625 200.9
[M+Na-2H]- 260.98707 161.5
[M]+ 240.01185 160.7
[M]- 240.01295 160.7
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