CID 215815

Diisobutyl trichloroethyl phosphate

Structural Information

Molecular Formula
C10H20Cl3O4P
SMILES
CC(C)COP(=O)(OCC(C)C)OCC(Cl)(Cl)Cl
InChI
InChI=1S/C10H20Cl3O4P/c1-8(2)5-15-18(14,16-6-9(3)4)17-7-10(11,12)13/h8-9H,5-7H2,1-4H3
InChIKey
HRHUTVLHJZMNPA-UHFFFAOYSA-N
Compound name
bis(2-methylpropyl) 2,2,2-trichloroethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.01648 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.02376 168.4
[M+Na]+ 363.00570 175.9
[M-H]- 339.00920 167.1
[M+NH4]+ 358.05030 184.7
[M+K]+ 378.97964 172.3
[M+H-H2O]+ 323.01374 164.7
[M+HCOO]- 385.01468 177.9
[M+CH3COO]- 399.03033 207.9
[M+Na-2H]- 360.99115 168.8
[M]+ 340.01593 178.4
[M]- 340.01703 178.4
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.