CID 197741

Allyltriphenylphosphonium bromide

Structural Information

Molecular Formula
C21H20P
SMILES
C=CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H20P/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h2-17H,1,18H2/q+1
InChIKey
FLNRHACWTVIBQS-UHFFFAOYSA-N
Compound name
triphenyl(prop-2-enyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

2148
Patents

303.13025 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.13753 180.4
[M+Na]+ 326.11947 184.9
[M-H]- 302.12297 188.0
[M+NH4]+ 321.16407 194.3
[M+K]+ 342.09341 173.1
[M+H-H2O]+ 286.12751 171.5
[M+HCOO]- 348.12845 206.4
[M+CH3COO]- 362.14410 199.2
[M+Na-2H]- 324.10492 185.1
[M]+ 303.12970 177.5
[M]- 303.13080 177.5
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