CID 4465251

Benzyltriethylphosphonium bromide

Structural Information

Molecular Formula

C₁₃H₂₂P

SMILES

CC[P+](CC)(CC)CC1=CC=CC=C1

InChI

InChI=1S/C13H22P/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13/h7-11H,4-6,12H2,1-3H3/q+1

InChIKey

VHTDHSVPBYDDAM-UHFFFAOYSA-N

Compound name

benzyl(triethyl)phosphanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2921
Patents: 209.14592 Da
Monoisotopic Mass: 2.5
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]+	210.15320	155.9
[M+Na]+	232.13514	161.7
[M-H]-	208.13864	158.2
[M+NH4]+	227.17974	175.4
[M+K]+	248.10908	153.8
[M+H-H2O]+	192.14318	150.8
[M+HCOO]-	254.14412	182.4
[M+CH3COO]-	268.15977	184.6
[M+Na-2H]-	230.12059	161.0
[M]+	209.14537	157.2
[M]-	209.14647	157.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe