CID 2761063

1-[2-bromo-4-(methylsulfonyl)phenyl]piperazine

Structural Information

Molecular Formula
C11H15BrN2O2S
SMILES
CS(=O)(=O)C1=CC(=C(C=C1)N2CCNCC2)Br
InChI
InChI=1S/C11H15BrN2O2S/c1-17(15,16)9-2-3-11(10(12)8-9)14-6-4-13-5-7-14/h2-3,8,13H,4-7H2,1H3
InChIKey
ZDVVWFZPPZXANM-UHFFFAOYSA-N
Compound name
1-(2-bromo-4-methylsulfonylphenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.00375 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.01103 151.0
[M+Na]+ 340.99297 153.3
[M+NH4]+ 336.03757 154.7
[M+K]+ 356.96691 152.9
[M-H]- 316.99647 151.0
[M+Na-2H]- 338.97842 154.2
[M]+ 318.00320 150.4
[M]- 318.00430 150.4
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

No patent data available for this compound.