CID 555806

3-[bis(3,3,3-trifluoropropyl)phosphoryl]-1,1,1-trifluoropropane

Structural Information

Molecular Formula
C9H12F9OP
SMILES
C(CP(=O)(CCC(F)(F)F)CCC(F)(F)F)C(F)(F)F
InChI
InChI=1S/C9H12F9OP/c10-7(11,12)1-4-20(19,5-2-8(13,14)15)6-3-9(16,17)18/h1-6H2
InChIKey
VFVMURMCRDXIGP-UHFFFAOYSA-N
Compound name
3-[bis(3,3,3-trifluoropropyl)phosphoryl]-1,1,1-trifluoropropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

338.04822 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.05550 174.0
[M+Na]+ 361.03744 182.2
[M-H]- 337.04094 162.1
[M+NH4]+ 356.08204 188.0
[M+K]+ 377.01138 178.7
[M+H-H2O]+ 321.04548 160.4
[M+HCOO]- 383.04642 186.2
[M+CH3COO]- 397.06207 209.9
[M+Na-2H]- 359.02289 174.2
[M]+ 338.04767 164.0
[M]- 338.04877 164.0
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.