CID 3039062

1-(2,4-dichlorophenyl)ethenyl dimethyl phosphate

Structural Information

Molecular Formula
C10H11Cl2O4P
SMILES
COP(=O)(OC)OC(=C)C1=C(C=C(C=C1)Cl)Cl
InChI
InChI=1S/C10H11Cl2O4P/c1-7(16-17(13,14-2)15-3)9-5-4-8(11)6-10(9)12/h4-6H,1H2,2-3H3
InChIKey
XVBTXHSXCGERSU-UHFFFAOYSA-N
Compound name
1-(2,4-dichlorophenyl)ethenyl dimethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.9772 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.98448 155.2
[M+Na]+ 318.96642 165.4
[M-H]- 294.96992 158.2
[M+NH4]+ 314.01102 173.0
[M+K]+ 334.94036 161.6
[M+H-H2O]+ 278.97446 149.4
[M+HCOO]- 340.97540 173.9
[M+CH3COO]- 354.99105 199.4
[M+Na-2H]- 316.95187 157.2
[M]+ 295.97665 164.2
[M]- 295.97775 164.2
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.