CID 3084562

Decyltriphenylphosphonium bromide

Structural Information

Molecular Formula
C28H36P
SMILES
CCCCCCCCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C28H36P/c1-2-3-4-5-6-7-8-18-25-29(26-19-12-9-13-20-26,27-21-14-10-15-22-27)28-23-16-11-17-24-28/h9-17,19-24H,2-8,18,25H2,1H3/q+1
InChIKey
LUKKCEVNUJBTRF-UHFFFAOYSA-N
Compound name
decyl(triphenyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

3130
Patents

403.25546 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.26274 215.0
[M+Na]+ 426.24468 216.0
[M-H]- 402.24818 221.0
[M+NH4]+ 421.28928 224.8
[M+K]+ 442.21862 203.1
[M+H-H2O]+ 386.25272 204.3
[M+HCOO]- 448.25366 238.2
[M+CH3COO]- 462.26931 220.8
[M+Na-2H]- 424.23013 215.6
[M]+ 403.25491 214.9
[M]- 403.25601 214.9
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