CID 120358

2-chloroethyl 2,4-dichlorophenyl ethyl phosphate

Structural Information

Molecular Formula
C10H12Cl3O4P
SMILES
CCOP(=O)(OCCCl)OC1=C(C=C(C=C1)Cl)Cl
InChI
InChI=1S/C10H12Cl3O4P/c1-2-15-18(14,16-6-5-11)17-10-4-3-8(12)7-9(10)13/h3-4,7H,2,5-6H2,1H3
InChIKey
FXUNAVNMRPVKIU-UHFFFAOYSA-N
Compound name
2-chloroethyl (2,4-dichlorophenyl) ethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.9539 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.96118 161.8
[M+Na]+ 354.94312 172.0
[M-H]- 330.94662 163.6
[M+NH4]+ 349.98772 178.3
[M+K]+ 370.91706 167.3
[M+H-H2O]+ 314.95116 156.4
[M+HCOO]- 376.95210 175.7
[M+CH3COO]- 390.96775 204.5
[M+Na-2H]- 352.92857 163.9
[M]+ 331.95335 171.9
[M]- 331.95445 171.9
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.