CID 4219629

1,12-dodecanediyl-bis(tributylphosphonium) dibromide

Structural Information

Molecular Formula
C36H78P2
SMILES
CCCC[P+](CCCC)(CCCC)CCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC
InChI
InChI=1S/C36H78P2/c1-7-13-29-37(30-14-8-2,31-15-9-3)35-27-25-23-21-19-20-22-24-26-28-36-38(32-16-10-4,33-17-11-5)34-18-12-6/h7-36H2,1-6H3/q+2
InChIKey
DLZBARBHUSOCRU-UHFFFAOYSA-N
Compound name
tributyl(12-tributylphosphaniumyldodecyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

572.55786 Da
Monoisotopic Mass

11.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 573.56514 266.4
[M+Na]+ 595.54708 266.1
[M-H]- 571.55058 248.0
[M+NH4]+ 590.59168 263.9
[M+K]+ 611.52102 265.5
[M+H-H2O]+ 555.55512 239.5
[M+HCOO]- 617.55606 284.0
[M+CH3COO]- 631.57171 258.7
[M+Na-2H]- 593.53253 244.3
[M]+ 572.55731 260.8
[M]- 572.55841 260.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe