CID 201114

2,4-dichlorophenyl diethyl phosphate

Structural Information

Molecular Formula
C10H13Cl2O4P
SMILES
CCOP(=O)(OCC)OC1=C(C=C(C=C1)Cl)Cl
InChI
InChI=1S/C10H13Cl2O4P/c1-3-14-17(13,15-4-2)16-10-6-5-8(11)7-9(10)12/h5-7H,3-4H2,1-2H3
InChIKey
TVZVEGZSJDAAKQ-UHFFFAOYSA-N
Compound name
(2,4-dichlorophenyl) diethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

297.99286 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.00014 157.6
[M+Na]+ 320.98208 167.8
[M-H]- 296.98558 160.4
[M+NH4]+ 316.02668 175.5
[M+K]+ 336.95602 164.0
[M+H-H2O]+ 280.99012 151.5
[M+HCOO]- 342.99106 177.0
[M+CH3COO]- 357.00671 199.5
[M+Na-2H]- 318.96753 160.6
[M]+ 297.99231 167.8
[M]- 297.99341 167.8
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

patents stripe