CID 167882

2,2-dichlorovinyl dihexyl phosphate

Structural Information

Molecular Formula
C14H27Cl2O4P
SMILES
CCCCCCOP(=O)(OCCCCCC)OC=C(Cl)Cl
InChI
InChI=1S/C14H27Cl2O4P/c1-3-5-7-9-11-18-21(17,20-13-14(15)16)19-12-10-8-6-4-2/h13H,3-12H2,1-2H3
InChIKey
ZHDODAPTBIAFLA-UHFFFAOYSA-N
Compound name
2,2-dichloroethenyl dihexyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.1024 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.10968 183.7
[M+Na]+ 383.09162 189.5
[M-H]- 359.09512 181.7
[M+NH4]+ 378.13622 198.9
[M+K]+ 399.06556 184.6
[M+H-H2O]+ 343.09966 177.6
[M+HCOO]- 405.10060 199.7
[M+CH3COO]- 419.11625 212.6
[M+Na-2H]- 381.07707 182.4
[M]+ 360.10185 195.8
[M]- 360.10295 195.8
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.