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 147.1
[M+Na]+ 263.00162 156.3
[M+NH4]+ 258.04622 152.8
[M+K]+ 278.97556 148.6
[M-H]- 239.00512 141.6
[M+Na-2H]- 260.98707 148.0
[M]+ 240.01185 146.5
[M]- 240.01295 146.5
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