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]+ 338.95641 153.6
[M+Na]+ 360.93835 165.4
[M-H]- 336.94185 159.1
[M+NH4]+ 355.98295 169.5
[M+K]+ 376.91229 151.3
[M+H-H2O]+ 320.94639 154.1
[M+HCOO]- 382.94733 159.3
[M+CH3COO]- 396.96298 196.1
[M+Na-2H]- 358.92380 158.7
[M]+ 337.94858 171.1
[M]- 337.94968 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.