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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.06158 159.1
[M+Na]+ 297.04352 171.6
[M+NH4]+ 292.08812 166.6
[M+K]+ 313.01746 163.5
[M-H]- 273.04702 160.7
[M+Na-2H]- 295.02897 164.9
[M]+ 274.05375 162.0
[M]- 274.05485 162.0
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