CID 175685352

1,2-dichloropropyl (3,3-dichloropropyl) hydrogen phosphate

Structural Information

Molecular Formula
C6H11Cl4O4P
SMILES
CC(C(OP(=O)(O)OCCC(Cl)Cl)Cl)Cl
InChI
InChI=1S/C6H11Cl4O4P/c1-4(7)6(10)14-15(11,12)13-3-2-5(8)9/h4-6H,2-3H2,1H3,(H,11,12)
InChIKey
KYPWIYJQYOZVBY-UHFFFAOYSA-N
Compound name
1,2-dichloropropyl 3,3-dichloropropyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.91492 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.922196 152.5
[M+Na]+ 340.904138 160.0
[M-H]- 316.907644 149.0
[M+NH4]+ 335.948743 168.2
[M+K]+ 356.878078 156.1
[M+H-H2O]+ 300.912180 150.4
[M+HCOO]- 362.913121 157.0
[M+CH3COO]- 376.928771 200.8
[M+Na-2H]- 338.889586 151.3
[M]+ 317.91437142 158.1
[M]- 317.91546858 158.1
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.