CID 43840153

4-formylpiperazine-1-sulfonyl chloride

Structural Information

Molecular Formula
C5H9ClN2O3S
SMILES
C1CN(CCN1C=O)S(=O)(=O)Cl
InChI
InChI=1S/C5H9ClN2O3S/c6-12(10,11)8-3-1-7(5-9)2-4-8/h5H,1-4H2
InChIKey
KDYQOCOXSQJWHL-UHFFFAOYSA-N
Compound name
4-formylpiperazine-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.00224 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.00952 139.6
[M+Na]+ 234.99146 148.2
[M-H]- 210.99496 140.5
[M+NH4]+ 230.03606 156.9
[M+K]+ 250.96540 145.2
[M+H-H2O]+ 194.99950 134.2
[M+HCOO]- 257.00044 148.4
[M+CH3COO]- 271.01609 178.5
[M+Na-2H]- 232.97691 143.2
[M]+ 212.00169 140.7
[M]- 212.00279 140.7
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.