CID 2405262

731003-83-1

Structural Information

Molecular Formula
C10H12BrClN2O2S
SMILES
C1CN(CCN1)S(=O)(=O)C2=C(C=C(C=C2)Br)Cl
InChI
InChI=1S/C10H12BrClN2O2S/c11-8-1-2-10(9(12)7-8)17(15,16)14-5-3-13-4-6-14/h1-2,7,13H,3-6H2
InChIKey
VGNMMLAYLPUGHF-UHFFFAOYSA-N
Compound name
1-(4-bromo-2-chlorophenyl)sulfonylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.94913 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.956406 153.6
[M+Na]+ 360.938348 165.4
[M-H]- 336.941854 159.1
[M+NH4]+ 355.982953 169.5
[M+K]+ 376.912288 151.3
[M+H-H2O]+ 320.946390 154.1
[M+HCOO]- 382.947331 159.3
[M+CH3COO]- 396.962981 196.1
[M+Na-2H]- 358.923796 158.7
[M]+ 337.94858142 171.1
[M]- 337.94967858 171.1
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.