CID 217127

2,5-dichlorophenyl ethyl phenyl phosphate

Structural Information

Molecular Formula
C14H13Cl2O4P
SMILES
CCOP(=O)(OC1=CC=CC=C1)OC2=C(C=CC(=C2)Cl)Cl
InChI
InChI=1S/C14H13Cl2O4P/c1-2-18-21(17,19-12-6-4-3-5-7-12)20-14-10-11(15)8-9-13(14)16/h3-10H,2H2,1H3
InChIKey
IOWGBLYDJHSGJU-UHFFFAOYSA-N
Compound name
(2,5-dichlorophenyl) ethyl phenyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.99286 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.00014 170.4
[M+Na]+ 368.98208 180.1
[M-H]- 344.98558 176.1
[M+NH4]+ 364.02668 185.8
[M+K]+ 384.95602 175.3
[M+H-H2O]+ 328.99012 162.3
[M+HCOO]- 390.99106 189.7
[M+CH3COO]- 405.00671 207.0
[M+Na-2H]- 366.96753 173.4
[M]+ 345.99231 179.5
[M]- 345.99341 179.5
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.