CID 2777987

31930-01-5

Structural Information

Molecular Formula
C23H15Cl3N3O3P
SMILES
C1=CC=C(C=C1)OC2=NP(=NC(=C2C#N)C(Cl)(Cl)Cl)(OC3=CC=CC=C3)OC4=CC=CC=C4
InChI
InChI=1S/C23H15Cl3N3O3P/c24-23(25,26)21-20(16-27)22(30-17-10-4-1-5-11-17)29-33(28-21,31-18-12-6-2-7-13-18)32-19-14-8-3-9-15-19/h1-15H
InChIKey
XTNAQXNICPSHAG-UHFFFAOYSA-N
Compound name
2,2,4-triphenoxy-6-(trichloromethyl)-1,3-diaza-2lambda5-phosphacyclohexa-1,3,5-triene-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

516.99164 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 517.99892 207.3
[M+Na]+ 539.98086 219.0
[M-H]- 515.98436 211.6
[M+NH4]+ 535.02546 213.0
[M+K]+ 555.95480 209.0
[M+H-H2O]+ 499.98890 187.9
[M+HCOO]- 561.98984 214.1
[M+CH3COO]- 576.00549 213.4
[M+Na-2H]- 537.96631 208.7
[M]+ 516.99109 208.2
[M]- 516.99219 208.2
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.