CID 4086479

(2-(ethoxycarbonyl)allyl)triphenylphosphonium bromide

Structural Information

Molecular Formula
C24H24O2P
SMILES
CCOC(=O)C(=C)C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C24H24O2P/c1-3-26-24(25)20(2)19-27(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-18H,2-3,19H2,1H3/q+1
InChIKey
DDLADLOWIYKHNS-UHFFFAOYSA-N
Compound name
2-ethoxycarbonylprop-2-enyl(triphenyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.1514 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.15868 199.6
[M+Na]+ 398.14062 202.1
[M-H]- 374.14412 206.9
[M+NH4]+ 393.18522 210.2
[M+K]+ 414.11456 191.5
[M+H-H2O]+ 358.14866 190.0
[M+HCOO]- 420.14960 223.2
[M+CH3COO]- 434.16525 211.5
[M+Na-2H]- 396.12607 200.8
[M]+ 375.15085 198.3
[M]- 375.15195 198.3
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

No patent data available for this compound.