CID 1071339

1-(5-chloro-2-methoxy-benzenesulfonyl)-piperazine

Structural Information

Molecular Formula
C11H15ClN2O3S
SMILES
COC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CCNCC2
InChI
InChI=1S/C11H15ClN2O3S/c1-17-10-3-2-9(12)8-11(10)18(15,16)14-6-4-13-5-7-14/h2-3,8,13H,4-7H2,1H3
InChIKey
AROSEUNOEYMHLM-UHFFFAOYSA-N
Compound name
1-(5-chloro-2-methoxyphenyl)sulfonylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

290.0492 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.05648 161.8
[M+Na]+ 313.03842 173.8
[M+NH4]+ 308.08302 168.8
[M+K]+ 329.01236 166.3
[M-H]- 289.04192 162.9
[M+Na-2H]- 311.02387 167.3
[M]+ 290.04865 164.4
[M]- 290.04975 164.4
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