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]+ 502.93398 188.5
[M+Na]+ 524.91592 179.5
[M-H]- 500.91942 176.1
[M+NH4]+ 519.96052 194.5
[M+K]+ 540.88986 189.9
[M+H-H2O]+ 484.92396 175.0
[M+HCOO]- 546.92490 201.6
[M+CH3COO]- 560.94055 219.9
[M+Na-2H]- 522.90137 170.4
[M]+ 501.92615 190.3
[M]- 501.92725 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.