CID 45075727

Perfluoro-4-isopropoxybutanoic acid

Structural Information

Molecular Formula
C7HF13O3
SMILES
C(=O)(C(C(C(OC(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C7HF13O3/c8-2(9,1(21)22)3(10,11)7(19,20)23-4(12,5(13,14)15)6(16,17)18/h(H,21,22)
InChIKey
HFUCGDPRBKRBFR-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4-hexafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)butanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

11
Patents

379.9718 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.97908 178.7
[M+Na]+ 402.96102 178.5
[M+NH4]+ 398.00562 177.7
[M+K]+ 418.93496 177.6
[M-H]- 378.96452 173.9
[M+Na-2H]- 400.94647 176.8
[M]+ 379.97125 177.2
[M]- 379.97235 177.2
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

patents stripe