CID 24841984

Piperazine, 1,4-bis(2-chloroethyl)-, 1,4-dioxide

Structural Information

Molecular Formula
C8H16Cl2N2O2
SMILES
C1C[N+](CC[N+]1(CCCl)[O-])(CCCl)[O-]
InChI
InChI=1S/C8H16Cl2N2O2/c9-1-3-11(13)5-7-12(14,4-2-10)8-6-11/h1-8H2
InChIKey
CDORLKDPELIMAH-UHFFFAOYSA-N
Compound name
1,4-bis(2-chloroethyl)-1,4-dioxidopiperazine-1,4-diium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.05888 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.06616 150.6
[M+Na]+ 265.04810 156.0
[M-H]- 241.05160 146.7
[M+NH4]+ 260.09270 167.8
[M+K]+ 281.02204 143.6
[M+H-H2O]+ 225.05614 155.9
[M+HCOO]- 287.05708 156.8
[M+CH3COO]- 301.07273 171.4
[M+Na-2H]- 263.03355 158.4
[M]+ 242.05833 144.9
[M]- 242.05943 144.9
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

No patent data available for this compound.