CID 5381006

Beta-styrenephosphonic acid, dioctyl ester

Structural Information

Molecular Formula
C24H41O3P
SMILES
CCCCCCCCOP(=O)(/C=C/C1=CC=CC=C1)OCCCCCCCC
InChI
InChI=1S/C24H41O3P/c1-3-5-7-9-11-16-21-26-28(25,23-20-24-18-14-13-15-19-24)27-22-17-12-10-8-6-4-2/h13-15,18-20,23H,3-12,16-17,21-22H2,1-2H3/b23-20+
InChIKey
QJBHYQLPZLPAPU-BSYVCWPDSA-N
Compound name
[(E)-2-dioctoxyphosphorylethenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.27933 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.28661 213.5
[M+Na]+ 431.26855 214.7
[M-H]- 407.27205 213.0
[M+NH4]+ 426.31315 224.6
[M+K]+ 447.24249 209.7
[M+H-H2O]+ 391.27659 202.4
[M+HCOO]- 453.27753 237.4
[M+CH3COO]- 467.29318 227.4
[M+Na-2H]- 429.25400 210.3
[M]+ 408.27878 222.5
[M]- 408.27988 222.5
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.