CID 3097453

1-propenyltriphenylphosphonium bromide

Structural Information

Molecular Formula
C21H20P
SMILES
CC=C[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/h2-18H,1H3/q+1
InChIKey
GTDZRCHHWHXSRA-UHFFFAOYSA-N
Compound name
triphenyl(prop-1-enyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

98
Patents

303.13025 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.137526 180.6
[M+Na]+ 326.119468 185.2
[M-H]- 302.122974 188.2
[M+NH4]+ 321.164073 194.6
[M+K]+ 342.093408 173.4
[M+H-H2O]+ 286.127510 171.8
[M+HCOO]- 348.128451 206.6
[M+CH3COO]- 362.144101 198.5
[M+Na-2H]- 324.104916 185.2
[M]+ 303.12970142 177.6
[M]- 303.13079858 177.6
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