CID 2405253

1-(3-bromobenzenesulfonyl)piperazine

Structural Information

Molecular Formula
C10H13BrN2O2S
SMILES
C1CN(CCN1)S(=O)(=O)C2=CC(=CC=C2)Br
InChI
InChI=1S/C10H13BrN2O2S/c11-9-2-1-3-10(8-9)16(14,15)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2
InChIKey
HFVJTQOHBQUGTR-UHFFFAOYSA-N
Compound name
1-(3-bromophenyl)sulfonylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

303.9881 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.99538 149.6
[M+Na]+ 326.97732 159.8
[M-H]- 302.98082 154.7
[M+NH4]+ 322.02192 165.6
[M+K]+ 342.95126 147.2
[M+H-H2O]+ 286.98536 149.4
[M+HCOO]- 348.98630 159.7
[M+CH3COO]- 363.00195 191.6
[M+Na-2H]- 324.96277 155.5
[M]+ 303.98755 165.0
[M]- 303.98865 165.0
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

patents stripe