CID 370145

Nsc642781

Structural Information

Molecular Formula
C6H9Cl4N7OP4S
SMILES
C1=CC=C(C=C1)OP2(=S)NNP3(=NP(=NP(=N3)(Cl)Cl)(Cl)Cl)NN2
InChI
InChI=1S/C6H9Cl4N7OP4S/c7-19(8)15-20(9,10)17-21(16-19)11-13-22(23,14-12-21)18-6-4-2-1-3-5-6/h1-5,11-12H,(H2,13,14,23)
InChIKey
FJYIZORHOUVDIG-UHFFFAOYSA-N
Compound name
2,2,4,4-tetrachloro-9-phenoxy-9-sulfanylidene-1,3,5,7,8,10,11-heptaza-2lambda5,4lambda5,6lambda5,9lambda5-tetraphosphaspiro[5.5]undeca-1(6),2,4-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

490.82938 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.83666 130.4
[M+Na]+ 513.81860 137.9
[M-H]- 489.82210 122.1
[M+NH4]+ 508.86320 137.5
[M+K]+ 529.79254 134.8
[M+H-H2O]+ 473.82664 115.9
[M+HCOO]- 535.82758 136.2
[M+CH3COO]- 549.84323 218.7
[M+Na-2H]- 511.80405 131.9
[M]+ 490.82883 124.9
[M]- 490.82993 124.9
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.