CID 211506

2,2-dichloroethenyl heptyl methyl phosphate

Structural Information

Molecular Formula
C10H19Cl2O4P
SMILES
CCCCCCCOP(=O)(OC)OC=C(Cl)Cl
InChI
InChI=1S/C10H19Cl2O4P/c1-3-4-5-6-7-8-15-17(13,14-2)16-9-10(11)12/h9H,3-8H2,1-2H3
InChIKey
QANJVSVOBYIYAA-UHFFFAOYSA-N
Compound name
2,2-dichloroethenyl heptyl methyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

304.0398 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.047076 164.8
[M+Na]+ 327.029018 172.2
[M-H]- 303.032524 163.5
[M+NH4]+ 322.073623 182.2
[M+K]+ 343.002958 168.3
[M+H-H2O]+ 287.037060 159.5
[M+HCOO]- 349.038001 182.1
[M+CH3COO]- 363.053651 201.0
[M+Na-2H]- 325.014466 165.6
[M]+ 304.03925142 175.4
[M]- 304.04034858 175.4
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