CID 613427

108682-52-6

Structural Information

Molecular Formula
C10H18F3O6P
SMILES
CC(C)OP(=O)(OC(C)C)OC(C(=O)OC)C(F)(F)F
InChI
InChI=1S/C10H18F3O6P/c1-6(2)17-20(15,18-7(3)4)19-8(9(14)16-5)10(11,12)13/h6-8H,1-5H3
InChIKey
ZDYIYMOKTDFBPT-UHFFFAOYSA-N
Compound name
methyl 2-di(propan-2-yloxy)phosphoryloxy-3,3,3-trifluoropropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.0793 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.08658 171.5
[M+Na]+ 345.06852 173.8
[M+NH4]+ 340.11312 172.2
[M+K]+ 361.04246 174.4
[M-H]- 321.07202 161.7
[M+Na-2H]- 343.05397 168.0
[M]+ 322.07875 168.2
[M]- 322.07985 168.2
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.