CID 3058100

74607-68-4

Structural Information

Molecular Formula
C21H19Br2N2P
SMILES
C1N(CP(CN1C2=CC=C(C=C2)Br)C3=CC=CC=C3)C4=CC=C(C=C4)Br
InChI
InChI=1S/C21H19Br2N2P/c22-17-6-10-19(11-7-17)24-14-25(20-12-8-18(23)9-13-20)16-26(15-24)21-4-2-1-3-5-21/h1-13H,14-16H2
InChIKey
PRHBLNXBRMPKNT-UHFFFAOYSA-N
Compound name
1,3-bis(4-bromophenyl)-5-phenyl-1,3,5-diazaphosphinane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

487.96527 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.97255 201.0
[M+Na]+ 510.95449 207.7
[M-H]- 486.95799 210.4
[M+NH4]+ 505.99909 211.3
[M+K]+ 526.92843 192.3
[M+H-H2O]+ 470.96253 204.8
[M+HCOO]- 532.96347 215.1
[M+CH3COO]- 546.97912 209.9
[M+Na-2H]- 508.93994 199.8
[M]+ 487.96472 230.6
[M]- 487.96582 230.6
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.