CID 162396620

Dtxsid801034232

Structural Information

Molecular Formula
C8H5F11O4
SMILES
C(COC(C(OC(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)C(=O)O
InChI
InChI=1S/C8H5F11O4/c9-4(10,5(11,12)13)6(14,15)23-8(18,19)7(16,17)22-2-1-3(20)21/h1-2H2,(H,20,21)
InChIKey
YCOATWMRSJDEFY-UHFFFAOYSA-N
Compound name
3-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

374.00122 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.00850 166.1
[M+Na]+ 396.99044 174.4
[M-H]- 372.99394 152.3
[M+NH4]+ 392.03504 152.8
[M+K]+ 412.96438 172.6
[M+H-H2O]+ 356.99848 154.0
[M+HCOO]- 418.99942 165.0
[M+CH3COO]- 433.01507 211.9
[M+Na-2H]- 394.97589 169.4
[M]+ 374.00067 152.3
[M]- 374.00177 152.3
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.