CID 134504

Dtxsid701030863

Structural Information

Molecular Formula
C10H10Cl3O4P
SMILES
COP(=O)(OC)OC(=CCl)C1=C(C=CC(=C1)Cl)Cl
InChI
InChI=1S/C10H10Cl3O4P/c1-15-18(14,16-2)17-10(6-11)8-5-7(12)3-4-9(8)13/h3-6H,1-2H3
InChIKey
XOFARZFCSCWOPZ-UHFFFAOYSA-N
Compound name
[2-chloro-1-(2,5-dichlorophenyl)ethenyl] dimethyl phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

329.93823 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.94551 159.6
[M+Na]+ 352.92745 169.9
[M-H]- 328.93095 161.7
[M+NH4]+ 347.97205 176.2
[M+K]+ 368.90139 165.1
[M+H-H2O]+ 312.93549 154.6
[M+HCOO]- 374.93643 172.8
[M+CH3COO]- 388.95208 203.7
[M+Na-2H]- 350.91290 160.8
[M]+ 329.93768 168.5
[M]- 329.93878 168.5
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

patents stripe