CID 101831

General chemicals 3562

Structural Information

Molecular Formula
C7H13F4O4P
SMILES
CCOP(=O)(C(C(F)F)(C(F)F)O)OCC
InChI
InChI=1S/C7H13F4O4P/c1-3-14-16(13,15-4-2)7(12,5(8)9)6(10)11/h5-6,12H,3-4H2,1-2H3
InChIKey
ZCNCEMNGTZGKLF-UHFFFAOYSA-N
Compound name
2-diethoxyphosphoryl-1,1,3,3-tetrafluoropropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.04877 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.05605 156.3
[M+Na]+ 291.03799 162.8
[M-H]- 267.04149 148.8
[M+NH4]+ 286.08259 172.3
[M+K]+ 307.01193 162.6
[M+H-H2O]+ 251.04603 146.4
[M+HCOO]- 313.04697 175.1
[M+CH3COO]- 327.06262 195.1
[M+Na-2H]- 289.02344 156.1
[M]+ 268.04822 155.3
[M]- 268.04932 155.3
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.