CID 3065544

Brn 1714888

Structural Information

Molecular Formula
C11H22Cl4N2O2
SMILES
C(C[N+](CCCl)(CCCl)[O-])C[N+](CCCl)(CCCl)[O-]
InChI
InChI=1S/C11H22Cl4N2O2/c12-2-8-16(18,9-3-13)6-1-7-17(19,10-4-14)11-5-15/h1-11H2
InChIKey
ZPZBBKCFUQFVCD-UHFFFAOYSA-N
Compound name
N,N,N',N'-tetrakis(2-chloroethyl)propane-1,3-diamine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.04355 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.05083 192.1
[M+Na]+ 377.03277 194.1
[M-H]- 353.03627 186.7
[M+NH4]+ 372.07737 203.9
[M+K]+ 393.00671 181.6
[M+H-H2O]+ 337.04081 198.2
[M+HCOO]- 399.04175 192.7
[M+CH3COO]- 413.05740 203.7
[M+Na-2H]- 375.01822 195.7
[M]+ 354.04300 191.8
[M]- 354.04410 191.8
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.