CID 370146

Nsc642782

Structural Information

Molecular Formula
C6H9Cl4N7O2P4
SMILES
C1=CC=C(C=C1)OP2(=O)NNP3(=NP(=NP(=N3)(Cl)Cl)(Cl)Cl)NN2
InChI
InChI=1S/C6H9Cl4N7O2P4/c7-20(8)15-21(9,10)17-22(16-20)11-13-23(18,14-12-22)19-6-4-2-1-3-5-6/h1-5,11-12H,(H2,13,14,18)
InChIKey
QPHHZIMEKMJFMS-UHFFFAOYSA-N
Compound name
2,2,4,4-tetrachloro-9-phenoxy-1,3,5,7,8,10,11-heptaza-2lambda5,4lambda5,6lambda5,9lambda5-tetraphosphaspiro[5.5]undeca-1(6),2,4-triene 9-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

474.85223 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.85951 143.6
[M+Na]+ 497.84145 151.4
[M-H]- 473.84495 134.9
[M+NH4]+ 492.88605 150.5
[M+K]+ 513.81539 148.2
[M+H-H2O]+ 457.84949 127.4
[M+HCOO]- 519.85043 151.8
[M+CH3COO]- 533.86608 217.7
[M+Na-2H]- 495.82690 145.4
[M]+ 474.85168 138.4
[M]- 474.85278 138.4
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.