CID 12498036

Perfluoro-4-methoxybutanoic acid

Structural Information

Molecular Formula
C5HF9O3
SMILES
C(=O)(C(C(C(OC(F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C5HF9O3/c6-2(7,1(15)16)3(8,9)4(10,11)17-5(12,13)14/h(H,15,16)
InChIKey
CZTBTZZANBJSLY-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4-hexafluoro-4-(trifluoromethoxy)butanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

41
Patents

279.9782 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.98548 143.9
[M+Na]+ 302.96742 153.1
[M-H]- 278.97092 132.5
[M+NH4]+ 298.01202 158.4
[M+K]+ 318.94136 151.6
[M+H-H2O]+ 262.97546 133.6
[M+HCOO]- 324.97640 150.6
[M+CH3COO]- 338.99205 194.8
[M+Na-2H]- 300.95287 148.3
[M]+ 279.97765 131.2
[M]- 279.97875 131.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe