CID 3067413

Brn 5136125

Structural Information

Molecular Formula
C21H19Br2N2PSe
SMILES
C1N(CP(=[Se])(CN1C2=CC=C(C=C2)Br)C3=CC=CC=C3)C4=CC=C(C=C4)Br
InChI
InChI=1S/C21H19Br2N2PSe/c22-17-6-10-19(11-7-17)24-14-25(20-12-8-18(23)9-13-20)16-26(27,15-24)21-4-2-1-3-5-21/h1-13H,14-16H2
InChIKey
VUTBXPATQUECFS-UHFFFAOYSA-N
Compound name
1,3-bis(4-bromophenyl)-5-phenyl-5-selanylidene-1,3,5lambda5-diazaphosphinane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

567.8818 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 568.88908 211.7
[M+Na]+ 590.87102 218.7
[M-H]- 566.87452 220.9
[M+NH4]+ 585.91562 222.6
[M+K]+ 606.84496 202.8
[M+H-H2O]+ 550.87906 215.1
[M+HCOO]- 612.88000 225.2
[M+CH3COO]- 626.89565 220.0
[M+Na-2H]- 588.85647 210.0
[M]+ 567.88125 241.5
[M]- 567.88235 241.5
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.