CID 6333126

Stearyltributylphosphonium bromide

Structural Information

Molecular Formula
C30H64P
SMILES
CCCCCCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC
InChI
InChI=1S/C30H64P/c1-5-9-13-14-15-16-17-18-19-20-21-22-23-24-25-26-30-31(27-10-6-2,28-11-7-3)29-12-8-4/h5-30H2,1-4H3/q+1
InChIKey
PMJCFMOHKYAWDN-UHFFFAOYSA-N
Compound name
tributyl(octadecyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

453
Patents

455.47458 Da
Monoisotopic Mass

12.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.48186 238.4
[M+Na]+ 478.46380 242.1
[M-H]- 454.46730 219.5
[M+NH4]+ 473.50840 234.8
[M+K]+ 494.43774 239.9
[M+H-H2O]+ 438.47184 224.6
[M+HCOO]- 500.47278 253.8
[M+CH3COO]- 514.48843 240.4
[M+Na-2H]- 476.44925 221.3
[M]+ 455.47403 236.9
[M]- 455.47513 236.9
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

patents stripe