CID 131852100

28793-36-4

Structural Information

Molecular Formula
C8H5F11O3
SMILES
C(CC(C(OC(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)C(=O)O
InChI
InChI=1S/C8H5F11O3/c9-4(10,2-1-3(20)21)8(18,19)22-5(11,6(12,13)14)7(15,16)17/h1-2H2,(H,20,21)
InChIKey
JWVXDTVHAVXNHK-UHFFFAOYSA-N
Compound name
4,4,5,5-tetrafluoro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

358.00632 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.013596 163.7
[M+Na]+ 380.995538 172.2
[M-H]- 356.999044 150.0
[M+NH4]+ 376.040143 151.4
[M+K]+ 396.969478 169.8
[M+H-H2O]+ 341.003580 151.7
[M+HCOO]- 403.004521 164.3
[M+CH3COO]- 417.020171 209.4
[M+Na-2H]- 378.980986 166.6
[M]+ 358.00577142 148.3
[M]- 358.00686858 148.3
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.