CID 500004

1-(triphenylphosphoranyl)-2-propanol

Structural Information

Molecular Formula

C₂₁H₂₂OP

SMILES

CC(C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)O

InChI

InChI=1S/C21H22OP/c1-18(22)17-23(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,18,22H,17H2,1H3/q+1

InChIKey

GWIVKYPOQRMFCN-UHFFFAOYSA-N

Compound name

2-hydroxypropyl(triphenyl)phosphanium

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2
Patents: 321.14084 Da
Monoisotopic Mass: 4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	322.148116	184.6
[M+Na]+	344.130058	187.9
[M-H]-	320.133564	191.0
[M+NH4]+	339.174663	197.1
[M+K]+	360.103998	177.0
[M+H-H2O]+	304.138100	176.0
[M+HCOO]-	366.139041	208.2
[M+CH3COO]-	380.154691	200.0
[M+Na-2H]-	342.115506	188.0
[M]+	321.14029142	181.3
[M]-	321.14138858	181.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe