CID 57592

Brn 1799935

Structural Information

Molecular Formula
C10H20Cl4N2O2
SMILES
C(C[N+](CCCl)(CCCl)[O-])[N+](CCCl)(CCCl)[O-]
InChI
InChI=1S/C10H20Cl4N2O2/c11-1-5-15(17,6-2-12)9-10-16(18,7-3-13)8-4-14/h1-10H2
InChIKey
BNYKQCCUTTYKGI-UHFFFAOYSA-N
Compound name
N,N,N',N'-tetrakis(2-chloroethyl)ethane-1,2-diamine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.0279 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.03518 187.6
[M+Na]+ 363.01712 190.0
[M-H]- 339.02062 182.3
[M+NH4]+ 358.06172 199.8
[M+K]+ 378.99106 177.7
[M+H-H2O]+ 323.02516 193.9
[M+HCOO]- 385.02610 188.5
[M+CH3COO]- 399.04175 201.0
[M+Na-2H]- 361.00257 191.7
[M]+ 340.02735 186.9
[M]- 340.02845 186.9
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.