CID 116074

2-(2,4-dichlorophenoxy)ethyl diethyl phosphite

Structural Information

Molecular Formula
C12H17Cl2O4P
SMILES
CCOP(OCC)OCCOC1=C(C=C(C=C1)Cl)Cl
InChI
InChI=1S/C12H17Cl2O4P/c1-3-16-19(17-4-2)18-8-7-15-12-6-5-10(13)9-11(12)14/h5-6,9H,3-4,7-8H2,1-2H3
InChIKey
PWNJFBSXUBPTSM-UHFFFAOYSA-N
Compound name
2-(2,4-dichlorophenoxy)ethyl diethyl phosphite
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.02414 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.03142 166.4
[M+Na]+ 349.01336 174.8
[M-H]- 325.01686 168.5
[M+NH4]+ 344.05796 183.0
[M+K]+ 364.98730 171.2
[M+H-H2O]+ 309.02140 159.5
[M+HCOO]- 371.02234 185.5
[M+CH3COO]- 385.03799 206.6
[M+Na-2H]- 346.99881 166.2
[M]+ 326.02359 177.9
[M]- 326.02469 177.9
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.