CID 2565881

1-(3,4-dichlorobenzenesulfonyl)piperazine

Structural Information

Molecular Formula
C10H12Cl2N2O2S
SMILES
C1CN(CCN1)S(=O)(=O)C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C10H12Cl2N2O2S/c11-9-2-1-8(7-10(9)12)17(15,16)14-5-3-13-4-6-14/h1-2,7,13H,3-6H2
InChIKey
MBRYMRUOJNZKCW-UHFFFAOYSA-N
Compound name
1-(3,4-dichlorophenyl)sulfonylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

293.99966 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.00694 158.5
[M+Na]+ 316.98888 166.9
[M-H]- 292.99238 160.6
[M+NH4]+ 312.03348 172.3
[M+K]+ 332.96282 160.4
[M+H-H2O]+ 276.99692 152.6
[M+HCOO]- 338.99786 160.3
[M+CH3COO]- 353.01351 191.2
[M+Na-2H]- 314.97433 160.5
[M]+ 293.99911 157.9
[M]- 294.00021 157.9
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