CID 3058099

Brn 5136123

Structural Information

Molecular Formula
C21H19Br2N2PS
SMILES
C1N(CP(=S)(CN1C2=CC=C(C=C2)Br)C3=CC=CC=C3)C4=CC=C(C=C4)Br
InChI
InChI=1S/C21H19Br2N2PS/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
ZTWOFGRHQSKMOR-UHFFFAOYSA-N
Compound name
1,3-bis(4-bromophenyl)-5-phenyl-5-sulfanylidene-1,3,5lambda5-diazaphosphinane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

519.9373 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 520.94458 184.7
[M+Na]+ 542.92652 193.8
[M-H]- 518.93002 195.0
[M+NH4]+ 537.97112 196.9
[M+K]+ 558.90046 177.8
[M+H-H2O]+ 502.93456 190.2
[M+HCOO]- 564.93550 196.6
[M+CH3COO]- 578.95115 195.2
[M+Na-2H]- 540.91197 185.1
[M]+ 519.93675 216.6
[M]- 519.93785 216.6
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.