CID 6450270

Dipropyl(2-(2-chloro-1-methylethoxy)-1-propenyl)phosphonate

Structural Information

Molecular Formula
C12H24ClO4P
SMILES
CCCOP(=O)(/C=C(\C)/O[C@H](C)CCl)OCCC
InChI
InChI=1S/C12H24ClO4P/c1-5-7-15-18(14,16-8-6-2)10-12(4)17-11(3)9-13/h10-11H,5-9H2,1-4H3/b12-10+/t11-/m1/s1
InChIKey
DMFCJZXPEZDJEX-KPMWUXBGSA-N
Compound name
(2R)-1-chloro-2-[(E)-1-dipropoxyphosphorylprop-1-en-2-yl]oxypropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.11008 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.11736 170.8
[M+Na]+ 321.09930 176.7
[M-H]- 297.10280 169.5
[M+NH4]+ 316.14390 187.9
[M+K]+ 337.07324 174.4
[M+H-H2O]+ 281.10734 164.3
[M+HCOO]- 343.10828 191.4
[M+CH3COO]- 357.12393 203.3
[M+Na-2H]- 319.08475 169.7
[M]+ 298.10953 180.7
[M]- 298.11063 180.7
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.