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 154.8
[M+Na]+ 338.88848 163.4
[M-H]- 314.89198 152.2
[M+NH4]+ 333.93308 171.2
[M+K]+ 354.86242 158.8
[M+H-H2O]+ 298.89652 151.8
[M+HCOO]- 360.89746 162.2
[M+CH3COO]- 374.91311 200.2
[M+Na-2H]- 336.87393 155.8
[M]+ 315.89871 162.2
[M]- 315.89981 162.2
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.