CID 3625610

Bis(2,2,2-trifluoroethyl) methylphosphonate

Structural Information

Molecular Formula
C5H7F6O3P
SMILES
CP(=O)(OCC(F)(F)F)OCC(F)(F)F
InChI
InChI=1S/C5H7F6O3P/c1-15(12,13-2-4(6,7)8)14-3-5(9,10)11/h2-3H2,1H3
InChIKey
YIUFTMLPQFZEFD-UHFFFAOYSA-N
Compound name
1,1,1-trifluoro-2-[methyl(2,2,2-trifluoroethoxy)phosphoryl]oxyethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

380
Patents

260.0037 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.01098 150.5
[M+Na]+ 282.99292 159.5
[M-H]- 258.99642 142.5
[M+NH4]+ 278.03752 167.7
[M+K]+ 298.96686 158.8
[M+H-H2O]+ 243.00096 139.5
[M+HCOO]- 305.00190 169.4
[M+CH3COO]- 319.01755 193.2
[M+Na-2H]- 280.97837 153.9
[M]+ 260.00315 146.9
[M]- 260.00425 146.9
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

patents stripe