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 162.4
[M+Na]+ 311.05914 170.7
[M-H]- 287.06264 165.1
[M+NH4]+ 306.10374 176.3
[M+K]+ 327.03308 164.6
[M+H-H2O]+ 271.06718 155.8
[M+HCOO]- 333.06812 168.5
[M+CH3COO]- 347.08377 193.8
[M+Na-2H]- 309.04459 163.4
[M]+ 288.06937 162.0
[M]- 288.07047 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

No patent data available for this compound.