CID 6447360

Phosphoric acid, dibutyl 2,3-diiodo-2-propenyl ester

Structural Information

Molecular Formula
C11H21I2O4P
SMILES
CCCCOP(=O)(OCCCC)OC/C(=C/I)/I
InChI
InChI=1S/C11H21I2O4P/c1-3-5-7-15-18(14,16-8-6-4-2)17-10-11(13)9-12/h9H,3-8,10H2,1-2H3/b11-9-
InChIKey
FHYXSFOETFGYQT-LUAWRHEFSA-N
Compound name
dibutyl [(Z)-2,3-diiodoprop-2-enyl] phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

501.9267 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.933976 188.5
[M+Na]+ 524.915918 179.5
[M-H]- 500.919424 176.1
[M+NH4]+ 519.960523 194.5
[M+K]+ 540.889858 189.9
[M+H-H2O]+ 484.923960 175.0
[M+HCOO]- 546.924901 201.6
[M+CH3COO]- 560.940551 219.9
[M+Na-2H]- 522.901366 170.4
[M]+ 501.92615142 190.3
[M]- 501.92724858 190.3
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.