CID 3064390

Brn 6427493

Structural Information

Molecular Formula
C4H12Cl2N7P3
SMILES
C1CN1P2(=NP(=NP(=N2)(N)N)(Cl)Cl)N3CC3
InChI
InChI=1S/C4H12Cl2N7P3/c5-14(6)9-15(7,8)11-16(10-14,12-1-2-12)13-3-4-13/h1-4,7-8H2
InChIKey
FLHFOUJIWGFONT-UHFFFAOYSA-N
Compound name
4,4-bis(aziridin-1-yl)-6,6-dichloro-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-2,4,6-triene-2,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.9744 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.98168 171.6
[M+Na]+ 343.96362 179.8
[M-H]- 319.96712 171.2
[M+NH4]+ 339.00822 175.7
[M+K]+ 359.93756 178.4
[M+H-H2O]+ 303.97166 161.3
[M+HCOO]- 365.97260 191.7
[M+CH3COO]- 379.98825 215.6
[M+Na-2H]- 341.94907 169.7
[M]+ 320.97385 175.4
[M]- 320.97495 175.4
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.