CID 3070057

1,5,3,7-diazadiphosphocinium, 1,5-bis(4-bromophenyl)-3,7-dimethyl-3,7-diphenyl-, diiodide

Structural Information

Molecular Formula
C30H32Br2N2P2
SMILES
C[P+]1(CN(C[P+](CN(C1)C2=CC=C(C=C2)Br)(C)C3=CC=CC=C3)C4=CC=C(C=C4)Br)C5=CC=CC=C5
InChI
InChI=1S/C30H32Br2N2P2/c1-35(29-9-5-3-6-10-29)21-33(27-17-13-25(31)14-18-27)23-36(2,30-11-7-4-8-12-30)24-34(22-35)28-19-15-26(32)16-20-28/h3-20H,21-24H2,1-2H3/q+2
InChIKey
DJOKDWDWFIDFIY-UHFFFAOYSA-N
Compound name
1,5-bis(4-bromophenyl)-3,7-dimethyl-3,7-diphenyl-1,5,3,7-diazadiphosphocane-3,7-diium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

640.0408 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 641.04808 197.8
[M+Na]+ 663.03002 197.4
[M+NH4]+ 658.07462 198.9
[M+K]+ 679.00396 197.0
[M-H]- 639.03352 199.7
[M+Na-2H]- 661.01547 198.4
[M]+ 640.04025 198.3
[M]- 640.04135 198.3
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.