CID 3048783

(3-phenoxypropyl)triphenylphosphonium bromide

Structural Information

Molecular Formula
C27H26OP
SMILES
C1=CC=C(C=C1)OCCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C27H26OP/c1-5-14-24(15-6-1)28-22-13-23-29(25-16-7-2-8-17-25,26-18-9-3-10-19-26)27-20-11-4-12-21-27/h1-12,14-21H,13,22-23H2/q+1
InChIKey
JWCBVNAHXIJFAT-UHFFFAOYSA-N
Compound name
3-phenoxypropyl(triphenyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

397.17212 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.17940 208.1
[M+Na]+ 420.16134 210.3
[M-H]- 396.16484 217.6
[M+NH4]+ 415.20594 217.1
[M+K]+ 436.13528 198.0
[M+H-H2O]+ 380.16938 196.5
[M+HCOO]- 442.17032 232.5
[M+CH3COO]- 456.18597 215.9
[M+Na-2H]- 418.14679 211.3
[M]+ 397.17157 205.7
[M]- 397.17267 205.7
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

patents stripe