CID 73732

(ethoxycarbonylmethyl)triphenylphosphonium bromide

Structural Information

Molecular Formula
C22H22O2P
SMILES
CCOC(=O)C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H22O2P/c1-2-24-22(23)18-25(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17H,2,18H2,1H3/q+1
InChIKey
BDBCCQWLFKVQRT-UHFFFAOYSA-N
Compound name
(2-ethoxy-2-oxoethyl)-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1232
Patents

349.13574 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.14302 192.0
[M+Na]+ 372.12496 195.5
[M-H]- 348.12846 199.6
[M+NH4]+ 367.16956 203.9
[M+K]+ 388.09890 185.3
[M+H-H2O]+ 332.13300 182.6
[M+HCOO]- 394.13394 217.1
[M+CH3COO]- 408.14959 205.9
[M+Na-2H]- 370.11041 195.4
[M]+ 349.13519 191.4
[M]- 349.13629 191.4
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