CID 79886470

65463-96-9

Structural Information

Molecular Formula
C6H11ClN2O3S
SMILES
CS(=O)(=O)N1CCN(CC1)C(=O)Cl
InChI
InChI=1S/C6H11ClN2O3S/c1-13(11,12)9-4-2-8(3-5-9)6(7)10/h2-5H2,1H3
InChIKey
TWBQUTGEWRDEIT-UHFFFAOYSA-N
Compound name
4-methylsulfonylpiperazine-1-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
Patents

226.0179 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.02518 143.3
[M+Na]+ 249.00712 151.2
[M-H]- 225.01062 144.2
[M+NH4]+ 244.05172 160.1
[M+K]+ 264.98106 148.5
[M+H-H2O]+ 209.01516 138.0
[M+HCOO]- 271.01610 150.8
[M+CH3COO]- 285.03175 181.7
[M+Na-2H]- 246.99257 145.5
[M]+ 226.01735 144.2
[M]- 226.01845 144.2
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

patents stripe