CID 165300

5266-08-0

Structural Information

Molecular Formula
C6H9Cl4O4P
SMILES
C(CCl)OP(=O)(OCCCl)OC=C(Cl)Cl
InChI
InChI=1S/C6H9Cl4O4P/c7-1-3-12-15(11,13-4-2-8)14-5-6(9)10/h5H,1-4H2
InChIKey
CGKOTHNDLWCICY-UHFFFAOYSA-N
Compound name
bis(2-chloroethyl) 2,2-dichloroethenyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.89926 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.90654 158.4
[M+Na]+ 338.88848 168.1
[M+NH4]+ 333.93308 163.9
[M+K]+ 354.86242 162.7
[M-H]- 314.89198 154.7
[M+Na-2H]- 336.87393 160.1
[M]+ 315.89871 159.4
[M]- 315.89981 159.4
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.