CID 2761066

849035-68-3

Structural Information

Molecular Formula

C₁₁H₁₅ClN₂O₂S

SMILES

CS(=O)(=O)C1=C(C=CC(=C1)Cl)N2CCNCC2

InChI

InChI=1S/C11H15ClN2O2S/c1-17(15,16)11-8-9(12)2-3-10(11)14-6-4-13-5-7-14/h2-3,8,13H,4-7H2,1H3

InChIKey

RJEDJYJNERXVNE-UHFFFAOYSA-N

Compound name

1-(4-chloro-2-methylsulfonylphenyl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 274.0543 Da
Monoisotopic Mass: 1.3
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]+	275.061576	158.2
[M+Na]+	297.043518	166.0
[M-H]-	273.047024	160.6
[M+NH4]+	292.088123	172.3
[M+K]+	313.017458	160.2
[M+H-H2O]+	257.051560	151.5
[M+HCOO]-	319.052501	164.7
[M+CH3COO]-	333.068151	189.6
[M+Na-2H]-	295.028966	160.3
[M]+	274.05375142	156.9
[M]-	274.05484858	156.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe