CID 71758205

1-bromomethanesulfonylpiperazine hydrochloride

Structural Information

Molecular Formula
C5H11BrN2O2S
SMILES
C1CN(CCN1)S(=O)(=O)CBr
InChI
InChI=1S/C5H11BrN2O2S/c6-5-11(9,10)8-3-1-7-2-4-8/h7H,1-5H2
InChIKey
HKLYIRRWQFICPU-UHFFFAOYSA-N
Compound name
1-(bromomethylsulfonyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.97246 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.97974 134.7
[M+Na]+ 264.96168 145.0
[M-H]- 240.96518 136.7
[M+NH4]+ 260.00628 153.1
[M+K]+ 280.93562 133.5
[M+H-H2O]+ 224.96972 135.1
[M+HCOO]- 286.97066 144.8
[M+CH3COO]- 300.98631 180.4
[M+Na-2H]- 262.94713 140.9
[M]+ 241.97191 150.2
[M]- 241.97301 150.2
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.