CID 77110

Norddeutsche 215

Structural Information

Molecular Formula
C6H9Cl2O5P
SMILES
CC(=O)OC(=C(Cl)Cl)P(=O)(OC)OC
InChI
InChI=1S/C6H9Cl2O5P/c1-4(9)13-6(5(7)8)14(10,11-2)12-3/h1-3H3
InChIKey
MBRBXYPIKYUZFW-UHFFFAOYSA-N
Compound name
(2,2-dichloro-1-dimethoxyphosphorylethenyl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.95645 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.96373 143.6
[M+Na]+ 284.94567 152.6
[M-H]- 260.94917 143.5
[M+NH4]+ 279.99027 162.6
[M+K]+ 300.91961 150.7
[M+H-H2O]+ 244.95371 139.7
[M+HCOO]- 306.95465 161.0
[M+CH3COO]- 320.97030 191.2
[M+Na-2H]- 282.93112 144.9
[M]+ 261.95590 152.4
[M]- 261.95700 152.4
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.