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 183.2
[M+Na]+ 405.05264 191.0
[M+NH4]+ 400.09724 187.8
[M+K]+ 421.02658 186.4
[M-H]- 381.05614 178.9
[M+Na-2H]- 403.03809 183.1
[M]+ 382.06287 183.6
[M]- 382.06397 183.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

No patent data available for this compound.