CID 369550

Nsc641411

Structural Information

Molecular Formula
C15H18Cl2NO7P
SMILES
CCOP(=O)(C(C(=O)C(=O)NC1=C(C=C(C=C1)Cl)Cl)C(=O)OC)OCC
InChI
InChI=1S/C15H18Cl2NO7P/c1-4-24-26(22,25-5-2)13(15(21)23-3)12(19)14(20)18-11-7-6-9(16)8-10(11)17/h6-8,13H,4-5H2,1-3H3,(H,18,20)
InChIKey
WUPIDXQOYUEVQZ-UHFFFAOYSA-N
Compound name
methyl 4-(2,4-dichloroanilino)-2-diethoxyphosphoryl-3,4-dioxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.0198 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.02708 182.7
[M+Na]+ 448.00902 189.3
[M-H]- 424.01252 185.5
[M+NH4]+ 443.05362 194.6
[M+K]+ 463.98296 187.2
[M+H-H2O]+ 408.01706 176.2
[M+HCOO]- 470.01800 199.4
[M+CH3COO]- 484.03365 224.7
[M+Na-2H]- 445.99447 180.6
[M]+ 425.01925 194.1
[M]- 425.02035 194.1
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.