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 200.7
[M+Na]+ 663.03002 203.6
[M-H]- 639.03352 205.3
[M+NH4]+ 658.07462 204.1
[M+K]+ 679.00396 194.6
[M+H-H2O]+ 623.03806 201.1
[M+HCOO]- 685.03900 206.5
[M+CH3COO]- 699.05465 248.2
[M+Na-2H]- 661.01547 196.8
[M]+ 640.04025 212.4
[M]- 640.04135 212.4
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.