CID 220225

Phosphonitrilic chloride trimer

Structural Information

Molecular Formula
Cl6N3P3
SMILES
N1=P(N=P(N=P1(Cl)Cl)(Cl)Cl)(Cl)Cl
InChI
InChI=1S/Cl6N3P3/c1-10(2)7-11(3,4)9-12(5,6)8-10
InChIKey
UBIJTWDKTYCPMQ-UHFFFAOYSA-N
Compound name
2,2,4,4,6,6-hexachloro-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

13
References

4615
Patents

344.74362 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.75090 127.0
[M+Na]+ 367.73284 137.9
[M-H]- 343.73634 120.4
[M+NH4]+ 362.77744 142.5
[M+K]+ 383.70678 135.5
[M+H-H2O]+ 327.74088 119.5
[M+HCOO]- 389.74182 132.1
[M+CH3COO]- 403.75747 208.7
[M+Na-2H]- 365.71829 128.3
[M]+ 344.74307 126.1
[M]- 344.74417 126.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe