CID 2724936

3,3-diisopropoxypropyl(triphenyl)phosphonium bromide

Structural Information

Molecular Formula
C27H34O2P
SMILES
CC(C)OC(CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)OC(C)C
InChI
InChI=1S/C27H34O2P/c1-22(2)28-27(29-23(3)4)20-21-30(24-14-8-5-9-15-24,25-16-10-6-11-17-25)26-18-12-7-13-19-26/h5-19,22-23,27H,20-21H2,1-4H3/q+1
InChIKey
GQCNULIZDMOVTF-UHFFFAOYSA-N
Compound name
3,3-di(propan-2-yloxy)propyl-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

421.22964 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.23692 215.4
[M+Na]+ 444.21886 215.5
[M-H]- 420.22236 221.9
[M+NH4]+ 439.26346 224.0
[M+K]+ 460.19280 205.9
[M+H-H2O]+ 404.22690 205.1
[M+HCOO]- 466.22784 236.4
[M+CH3COO]- 480.24349 223.5
[M+Na-2H]- 442.20431 213.8
[M]+ 421.22909 215.8
[M]- 421.23019 215.8
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