CID 53950665

35996-61-3

Structural Information

Molecular Formula
C11H12Cl3O4P
SMILES
CCOP(=O)(OC)OC(=CCl)C1=C(C=C(C=C1)Cl)Cl
InChI
InChI=1S/C11H12Cl3O4P/c1-3-17-19(15,16-2)18-11(7-12)9-5-4-8(13)6-10(9)14/h4-7H,3H2,1-2H3
InChIKey
JEEJELVGBADFIT-UHFFFAOYSA-N
Compound name
[2-chloro-1-(2,4-dichlorophenyl)ethenyl] ethyl methyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1366
Patents

343.9539 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.96118 164.3
[M+Na]+ 366.94312 174.2
[M-H]- 342.94662 166.3
[M+NH4]+ 361.98772 180.4
[M+K]+ 382.91706 169.2
[M+H-H2O]+ 326.95116 159.2
[M+HCOO]- 388.95210 177.3
[M+CH3COO]- 402.96775 206.6
[M+Na-2H]- 364.92857 165.0
[M]+ 343.95335 173.6
[M]- 343.95445 173.6
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