CID 2761059

849035-65-0

Structural Information

Molecular Formula
C12H17ClN2O2S
SMILES
CC1=CC(=C(C=C1S(=O)(=O)C)N2CCNCC2)Cl
InChI
InChI=1S/C12H17ClN2O2S/c1-9-7-10(13)11(8-12(9)18(2,16)17)15-5-3-14-4-6-15/h7-8,14H,3-6H2,1-2H3
InChIKey
IOKUKMHISOHDDU-UHFFFAOYSA-N
Compound name
1-(2-chloro-4-methyl-5-methylsulfonylphenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.06992 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.07720 163.8
[M+Na]+ 311.05914 176.5
[M+NH4]+ 306.10374 171.2
[M+K]+ 327.03308 168.3
[M-H]- 287.06264 165.4
[M+Na-2H]- 309.04459 169.2
[M]+ 288.06937 166.8
[M]- 288.07047 166.8
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.