CID 215793

Diisobutyl trichloropentyl phosphate

Structural Information

Molecular Formula
C13H26Cl3O4P
SMILES
CC(C)COP(=O)(OCCCCC(Cl)(Cl)Cl)OCC(C)C
InChI
InChI=1S/C13H26Cl3O4P/c1-11(2)9-19-21(17,20-10-12(3)4)18-8-6-5-7-13(14,15)16/h11-12H,5-10H2,1-4H3
InChIKey
FQICHYIADSNWBX-UHFFFAOYSA-N
Compound name
bis(2-methylpropyl) 5,5,5-trichloropentyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.06342 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.07070 182.5
[M+Na]+ 405.05264 188.8
[M-H]- 381.05614 180.7
[M+NH4]+ 400.09724 197.2
[M+K]+ 421.02658 184.5
[M+H-H2O]+ 365.06068 178.2
[M+HCOO]- 427.06162 191.1
[M+CH3COO]- 441.07727 216.3
[M+Na-2H]- 403.03809 181.4
[M]+ 382.06287 193.7
[M]- 382.06397 193.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.