CID 19829553

Phosphoric acid hydrogen bis(2,3-dichloropropyl) ester

Structural Information

Molecular Formula
C6H11Cl4O4P
SMILES
C(C(CCl)Cl)OP(=O)(O)OCC(CCl)Cl
InChI
InChI=1S/C6H11Cl4O4P/c7-1-5(9)3-13-15(11,12)14-4-6(10)2-8/h5-6H,1-4H2,(H,11,12)
InChIKey
QONUJRHZWGPJPC-UHFFFAOYSA-N
Compound name
bis(2,3-dichloropropyl) hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

317.91492 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.922196 154.1
[M+Na]+ 340.904138 161.7
[M-H]- 316.907644 150.4
[M+NH4]+ 335.948743 169.8
[M+K]+ 356.878078 157.3
[M+H-H2O]+ 300.912180 151.6
[M+HCOO]- 362.913121 159.3
[M+CH3COO]- 376.928771 200.1
[M+Na-2H]- 338.889586 153.8
[M]+ 317.91437142 160.1
[M]- 317.91546858 160.1
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

patents stripe