CID 218178

2,2-dichlorovinyl diheptyl phosphate

Structural Information

Molecular Formula
C16H31Cl2O4P
SMILES
CCCCCCCOP(=O)(OCCCCCCC)OC=C(Cl)Cl
InChI
InChI=1S/C16H31Cl2O4P/c1-3-5-7-9-11-13-20-23(19,22-15-16(17)18)21-14-12-10-8-6-4-2/h15H,3-14H2,1-2H3
InChIKey
DDOWREKAYZFHMH-UHFFFAOYSA-N
Compound name
2,2-dichloroethenyl diheptyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.1337 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.14098 193.0
[M+Na]+ 411.12292 198.1
[M-H]- 387.12642 190.7
[M+NH4]+ 406.16752 207.1
[M+K]+ 427.09686 192.6
[M+H-H2O]+ 371.13096 186.5
[M+HCOO]- 433.13190 208.4
[M+CH3COO]- 447.14755 218.4
[M+Na-2H]- 409.10837 190.7
[M]+ 388.13315 205.9
[M]- 388.13425 205.9
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.