CID 120306

631-51-6

Structural Information

Molecular Formula
C11H19Cl2O3P
SMILES
CCCCCCOP(=O)(CC=C)OC=C(Cl)Cl
InChI
InChI=1S/C11H19Cl2O3P/c1-3-5-6-7-8-15-17(14,9-4-2)16-10-11(12)13/h4,10H,2-3,5-9H2,1H3
InChIKey
ZFAUCMGGYODIDL-UHFFFAOYSA-N
Compound name
1-[2,2-dichloroethenoxy(prop-2-enyl)phosphoryl]oxyhexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.0449 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.05218 166.3
[M+Na]+ 323.03412 173.7
[M-H]- 299.03762 164.8
[M+NH4]+ 318.07872 183.9
[M+K]+ 339.00806 168.4
[M+H-H2O]+ 283.04216 161.1
[M+HCOO]- 345.04310 183.2
[M+CH3COO]- 359.05875 201.0
[M+Na-2H]- 321.01957 166.3
[M]+ 300.04435 175.1
[M]- 300.04545 175.1
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.