CID 3692562

(2-hydroxy-3-phenoxypropyl)triphenylphosphonium bromide

Structural Information

Molecular Formula
C27H26O2P
SMILES
C1=CC=C(C=C1)OCC(C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)O
InChI
InChI=1S/C27H26O2P/c28-23(21-29-24-13-5-1-6-14-24)22-30(25-15-7-2-8-16-25,26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-20,23,28H,21-22H2/q+1
InChIKey
CGRWJLBHCCIIGA-UHFFFAOYSA-N
Compound name
(2-hydroxy-3-phenoxypropyl)-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.16705 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.17433 210.1
[M+Na]+ 436.15627 211.2
[M-H]- 412.15977 218.4
[M+NH4]+ 431.20087 217.6
[M+K]+ 452.13021 199.5
[M+H-H2O]+ 396.16431 198.9
[M+HCOO]- 458.16525 232.3
[M+CH3COO]- 472.18090 215.9
[M+Na-2H]- 434.14172 212.3
[M]+ 413.16650 206.7
[M]- 413.16760 206.7
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.