CID 23419249

33027-66-6

Structural Information

Molecular Formula
C2H5F5N3OP3
SMILES
CCOP1(=NP(=NP(=N1)(F)F)(F)F)F
InChI
InChI=1S/C2H5F5N3OP3/c1-2-11-14(7)9-12(3,4)8-13(5,6)10-14/h2H2,1H3
InChIKey
CBTAIOOTRCAMBD-UHFFFAOYSA-N
Compound name
2-ethoxy-2,4,4,6,6-pentafluoro-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1827
Patents

274.95657 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.96385 140.9
[M+Na]+ 297.94579 153.2
[M-H]- 273.94929 132.6
[M+NH4]+ 292.99039 160.3
[M+K]+ 313.91973 152.4
[M+H-H2O]+ 257.95383 124.5
[M+HCOO]- 319.95477 172.9
[M+CH3COO]- 333.97042 198.1
[M+Na-2H]- 295.93124 142.4
[M]+ 274.95602 140.9
[M]- 274.95712 140.9
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