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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	241.019676	162.2
[M+Na]+	263.001618	174.5
[M-H]-	239.005124	167.2
[M+NH4]+	258.046223	183.7
[M+K]+	278.975558	168.2
[M+H-H2O]+	223.009660	151.6
[M+HCOO]-	285.010601	174.0
[M+CH3COO]-	299.026251	200.9
[M+Na-2H]-	260.987066	161.5
[M]+	240.01185142	160.7
[M]-	240.01294858	160.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe