CID 10870394

Ethyl 2-bromo-2-(diethoxyphosphoryl)acetate

Structural Information

Molecular Formula
C8H16BrO5P
SMILES
CCOC(=O)C(P(=O)(OCC)OCC)Br
InChI
InChI=1S/C8H16BrO5P/c1-4-12-8(10)7(9)15(11,13-5-2)14-6-3/h7H,4-6H2,1-3H3
InChIKey
JTMDGKZDQVZDKA-UHFFFAOYSA-N
Compound name
ethyl 2-bromo-2-diethoxyphosphorylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

301.99188 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.99916 167.7
[M+Na]+ 324.98110 177.4
[M-H]- 300.98460 169.4
[M+NH4]+ 320.02570 187.0
[M+K]+ 340.95504 168.7
[M+H-H2O]+ 284.98914 165.4
[M+HCOO]- 346.99008 190.9
[M+CH3COO]- 361.00573 199.0
[M+Na-2H]- 322.96655 169.4
[M]+ 301.99133 193.0
[M]- 301.99243 193.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe