CID 23419251

Pentafluoro(phenoxy)cyclotriphosphazene

Structural Information

Molecular Formula
C6H5F5N3OP3
SMILES
C1=CC=C(C=C1)OP2(=NP(=NP(=N2)(F)F)(F)F)F
InChI
InChI=1S/C6H5F5N3OP3/c7-16(8)12-17(9,10)14-18(11,13-16)15-6-4-2-1-3-5-6/h1-5H
InChIKey
XNZZEQCBAGUFMT-UHFFFAOYSA-N
Compound name
2,2,4,4,6-pentafluoro-6-phenoxy-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1229
Patents

322.95657 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.96385 155.0
[M+Na]+ 345.94579 166.9
[M-H]- 321.94929 149.5
[M+NH4]+ 340.99039 171.9
[M+K]+ 361.91973 164.2
[M+H-H2O]+ 305.95383 135.8
[M+HCOO]- 367.95477 186.8
[M+CH3COO]- 381.97042 205.4
[M+Na-2H]- 343.93124 155.7
[M]+ 322.95602 153.3
[M]- 322.95712 153.3
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