CID 373308

Nsc649454

Structural Information

Molecular Formula
C21H25O3P
SMILES
C=CCCC1(OCCO1)CCP(=O)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H25O3P/c1-2-3-14-21(23-16-17-24-21)15-18-25(22,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h2,4-13H,1,3,14-18H2
InChIKey
SFWZFTVXMFJRHP-UHFFFAOYSA-N
Compound name
2-but-3-enyl-2-(2-diphenylphosphorylethyl)-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.15414 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.16142 190.0
[M+Na]+ 379.14336 193.9
[M-H]- 355.14686 198.4
[M+NH4]+ 374.18796 203.2
[M+K]+ 395.11730 191.7
[M+H-H2O]+ 339.15140 179.7
[M+HCOO]- 401.15234 213.6
[M+CH3COO]- 415.16799 211.0
[M+Na-2H]- 377.12881 191.2
[M]+ 356.15359 191.2
[M]- 356.15469 191.2
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.