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 167.7
[M+Na]+ 345.06852 173.4
[M-H]- 321.07202 162.9
[M+NH4]+ 340.11312 177.7
[M+K]+ 361.04246 175.5
[M+H-H2O]+ 305.07656 158.4
[M+HCOO]- 367.07750 180.0
[M+CH3COO]- 381.09315 207.2
[M+Na-2H]- 343.05397 165.9
[M]+ 322.07875 172.1
[M]- 322.07985 172.1
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.