CID 71425834

3-(nonafluorobutoxy)propanoic acid

Structural Information

Molecular Formula
C7H5F9O3
SMILES
C(COC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(=O)O
InChI
InChI=1S/C7H5F9O3/c8-4(9,6(12,13)14)5(10,11)7(15,16)19-2-1-3(17)18/h1-2H2,(H,17,18)
InChIKey
PKHUZBFCHBFDSN-UHFFFAOYSA-N
Compound name
3-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

308.0095 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.01678 153.4
[M+Na]+ 330.99872 161.8
[M-H]- 307.00222 141.6
[M+NH4]+ 326.04332 166.8
[M+K]+ 346.97266 159.8
[M+H-H2O]+ 291.00676 142.7
[M+HCOO]- 353.00770 159.5
[M+CH3COO]- 367.02335 200.6
[M+Na-2H]- 328.98417 156.8
[M]+ 308.00895 141.4
[M]- 308.01005 141.4
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.