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 153.8
[M+Na]+ 340.99297 164.4
[M-H]- 316.99647 159.0
[M+NH4]+ 336.03757 169.6
[M+K]+ 356.96691 151.6
[M+H-H2O]+ 301.00101 153.5
[M+HCOO]- 363.00195 163.6
[M+CH3COO]- 377.01760 195.4
[M+Na-2H]- 338.97842 158.6
[M]+ 318.00320 169.9
[M]- 318.00430 169.9
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

No patent data available for this compound.