CID 3518628

299954-05-5

Structural Information

Molecular Formula
C10H11ClN2O2S
SMILES
C1CC2=C(C1)SC(=C2C(=O)N)NC(=O)CCl
InChI
InChI=1S/C10H11ClN2O2S/c11-4-7(14)13-10-8(9(12)15)5-2-1-3-6(5)16-10/h1-4H2,(H2,12,15)(H,13,14)
InChIKey
ALPHKUSWEDXBQI-UHFFFAOYSA-N
Compound name
2-[(2-chloroacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.02298 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.03026 158.6
[M+Na]+ 281.01220 166.7
[M-H]- 257.01570 163.2
[M+NH4]+ 276.05680 180.7
[M+K]+ 296.98614 162.4
[M+H-H2O]+ 241.02024 154.6
[M+HCOO]- 303.02118 173.0
[M+CH3COO]- 317.03683 194.8
[M+Na-2H]- 278.99765 156.9
[M]+ 258.02243 160.7
[M]- 258.02353 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

No patent data available for this compound.