CID 116448

64050-66-4

Structural Information

Molecular Formula
C7H12Cl3O4P
SMILES
CCCOP(=O)(OCCCl)OC=C(Cl)Cl
InChI
InChI=1S/C7H12Cl3O4P/c1-2-4-12-15(11,13-5-3-8)14-6-7(9)10/h6H,2-5H2,1H3
InChIKey
UVHUICINDSEUQN-UHFFFAOYSA-N
Compound name
2-chloroethyl 2,2-dichloroethenyl propyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.9539 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.96118 154.3
[M+Na]+ 318.94312 163.0
[M-H]- 294.94662 152.8
[M+NH4]+ 313.98772 172.0
[M+K]+ 334.91706 158.7
[M+H-H2O]+ 278.95116 150.5
[M+HCOO]- 340.95210 167.1
[M+CH3COO]- 354.96775 197.3
[M+Na-2H]- 316.92857 156.0
[M]+ 295.95335 163.5
[M]- 295.95445 163.5
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.