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 158.2
[M+Na]+ 297.04352 166.0
[M-H]- 273.04702 160.6
[M+NH4]+ 292.08812 172.3
[M+K]+ 313.01746 160.2
[M+H-H2O]+ 257.05156 151.5
[M+HCOO]- 319.05250 164.7
[M+CH3COO]- 333.06815 189.6
[M+Na-2H]- 295.02897 160.3
[M]+ 274.05375 156.9
[M]- 274.05485 156.9
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