CID 3765089

Maybridge4_002433

Structural Information

Molecular Formula

C₁₄H₁₅ClN₂O₂S

SMILES

C1CCN(CC1)C=C(C#N)S(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H15ClN2O2S/c15-12-4-6-13(7-5-12)20(18,19)14(10-16)11-17-8-2-1-3-9-17/h4-7,11H,1-3,8-9H2

InChIKey

VWPISDGKZOXAIT-UHFFFAOYSA-N

Compound name

2-(4-chlorophenyl)sulfonyl-3-piperidin-1-ylprop-2-enenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 310.0543 Da
Monoisotopic Mass: 2.8
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]+	311.061576	175.8
[M+Na]+	333.043518	184.7
[M-H]-	309.047024	179.9
[M+NH4]+	328.088123	188.7
[M+K]+	349.017458	177.9
[M+H-H2O]+	293.051560	162.8
[M+HCOO]-	355.052501	181.1
[M+CH3COO]-	369.068151	208.1
[M+Na-2H]-	331.028966	176.1
[M]+	310.05375142	170.3
[M]-	310.05484858	170.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.