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]+ 359.01360 163.7
[M+Na]+ 380.99554 172.2
[M-H]- 356.99904 150.0
[M+NH4]+ 376.04014 151.4
[M+K]+ 396.96948 169.8
[M+H-H2O]+ 341.00358 151.7
[M+HCOO]- 403.00452 164.3
[M+CH3COO]- 417.02017 209.4
[M+Na-2H]- 378.98099 166.6
[M]+ 358.00577 148.3
[M]- 358.00687 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.