CID 3056467

Butyltris(dibutylamino)phosphonium bromide

Structural Information

Molecular Formula
C28H63N3P
SMILES
CCCCN(CCCC)[P+](CCCC)(N(CCCC)CCCC)N(CCCC)CCCC
InChI
InChI=1S/C28H63N3P/c1-8-15-22-29(23-16-9-2)32(28-21-14-7,30(24-17-10-3)25-18-11-4)31(26-19-12-5)27-20-13-6/h8-28H2,1-7H3/q+1
InChIKey
OTXFSSGYEBBJNO-UHFFFAOYSA-N
Compound name
butyl-tris(dibutylamino)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.47595 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.48323 262.7
[M+Na]+ 495.46517 273.9
[M-H]- 471.46867 256.9
[M+NH4]+ 490.50977 267.7
[M+K]+ 511.43911 269.1
[M+H-H2O]+ 455.47321 250.9
[M+HCOO]- 517.47415 270.6
[M+CH3COO]- 531.48980 258.3
[M+Na-2H]- 493.45062 247.6
[M]+ 472.47540 257.4
[M]- 472.47650 257.4
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.