CID 4599085

610275-77-9

Structural Information

Molecular Formula
C11H15N3O4S
SMILES
CS(=O)(=O)C1=CC(=C(C=C1)N2CCNCC2)[N+](=O)[O-]
InChI
InChI=1S/C11H15N3O4S/c1-19(17,18)9-2-3-10(11(8-9)14(15)16)13-6-4-12-5-7-13/h2-3,8,12H,4-7H2,1H3
InChIKey
JYZGGQKQOOFWRN-UHFFFAOYSA-N
Compound name
1-(4-methylsulfonyl-2-nitrophenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.07834 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.08562 156.3
[M+Na]+ 308.06756 167.4
[M+NH4]+ 303.11216 162.3
[M+K]+ 324.04150 164.1
[M-H]- 284.07106 158.2
[M+Na-2H]- 306.05301 161.5
[M]+ 285.07779 158.5
[M]- 285.07889 158.5
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.