CID 120348

2-chloroethyl 3,5-dichlorophenyl methyl phosphate

Structural Information

Molecular Formula
C9H10Cl3O4P
SMILES
COP(=O)(OCCCl)OC1=CC(=CC(=C1)Cl)Cl
InChI
InChI=1S/C9H10Cl3O4P/c1-14-17(13,15-3-2-10)16-9-5-7(11)4-8(12)6-9/h4-6H,2-3H2,1H3
InChIKey
DYEBMIVWGBFRJZ-UHFFFAOYSA-N
Compound name
2-chloroethyl (3,5-dichlorophenyl) methyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.93823 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.94551 157.1
[M+Na]+ 340.92745 167.6
[M-H]- 316.93095 159.1
[M+NH4]+ 335.97205 174.2
[M+K]+ 356.90139 163.2
[M+H-H2O]+ 300.93549 151.9
[M+HCOO]- 362.93643 171.3
[M+CH3COO]- 376.95208 201.6
[M+Na-2H]- 338.91290 159.8
[M]+ 317.93768 166.8
[M]- 317.93878 166.8
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.