CID 4182722

51860-45-8

Structural Information

Molecular Formula
C21H22OP
SMILES
C1=CC=C(C=C1)[P+](CCCO)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H22OP/c22-17-10-18-23(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16,22H,10,17-18H2/q+1
InChIKey
XRRKQZBQEWXVNV-UHFFFAOYSA-N
Compound name
3-hydroxypropyl(triphenyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

220
Patents

321.14084 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.14812 177.9
[M+Na]+ 344.13006 195.3
[M+NH4]+ 339.17466 188.1
[M+K]+ 360.10400 186.0
[M-H]- 320.13356 186.4
[M+Na-2H]- 342.11551 191.0
[M]+ 321.14029 183.5
[M]- 321.14139 183.5
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