CID 3614432

(2-chloro-allyl)-phosphonic acid diethyl ester

Structural Information

Molecular Formula
C7H14ClO3P
SMILES
CCOP(=O)(CC(=C)Cl)OCC
InChI
InChI=1S/C7H14ClO3P/c1-4-10-12(9,11-5-2)6-7(3)8/h3-6H2,1-2H3
InChIKey
XXQBZWQBHJPOAS-UHFFFAOYSA-N
Compound name
2-chloro-3-diethoxyphosphorylprop-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.03691 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.04419 144.8
[M+Na]+ 235.02613 152.9
[M-H]- 211.02963 144.2
[M+NH4]+ 230.07073 165.3
[M+K]+ 251.00007 150.9
[M+H-H2O]+ 195.03417 139.3
[M+HCOO]- 257.03511 167.6
[M+CH3COO]- 271.05076 186.2
[M+Na-2H]- 233.01158 147.2
[M]+ 212.03636 152.0
[M]- 212.03746 152.0
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.