CID 120384

813-84-3

Structural Information

Molecular Formula
C5H9F4O4P
SMILES
COP(=O)(C(C(F)F)(C(F)F)O)OC
InChI
InChI=1S/C5H9F4O4P/c1-12-14(11,13-2)5(10,3(6)7)4(8)9/h3-4,10H,1-2H3
InChIKey
JIULQIONDXIEHE-UHFFFAOYSA-N
Compound name
2-dimethoxyphosphoryl-1,1,3,3-tetrafluoropropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.01746 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.02474 146.4
[M+Na]+ 263.00668 153.8
[M-H]- 239.01018 139.3
[M+NH4]+ 258.05128 163.6
[M+K]+ 278.98062 154.1
[M+H-H2O]+ 223.01472 136.9
[M+HCOO]- 285.01566 165.9
[M+CH3COO]- 299.03131 189.1
[M+Na-2H]- 260.99213 147.3
[M]+ 240.01691 144.7
[M]- 240.01801 144.7
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.