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

80
Patents

226.0179 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.025176 143.3
[M+Na]+ 249.007118 151.2
[M-H]- 225.010624 144.2
[M+NH4]+ 244.051723 160.1
[M+K]+ 264.981058 148.5
[M+H-H2O]+ 209.015160 138.0
[M+HCOO]- 271.016101 150.8
[M+CH3COO]- 285.031751 181.7
[M+Na-2H]- 246.992566 145.5
[M]+ 226.01735142 144.2
[M]- 226.01844858 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