CID 12716868

Perfluoro-3,6,9-trioxaundecanoic acid

Structural Information

Molecular Formula
C8HF15O5
SMILES
C(=O)(C(OC(C(OC(C(OC(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C8HF15O5/c9-2(10,1(24)25)26-5(16,17)6(18,19)28-8(22,23)7(20,21)27-4(14,15)3(11,12)13/h(H,24,25)
InChIKey
OOLYITHHORJYKI-UHFFFAOYSA-N
Compound name
2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

461.95844 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.96572 152.4
[M+Na]+ 484.94766 157.3
[M-H]- 460.95116 160.5
[M+NH4]+ 479.99226 162.2
[M+K]+ 500.92160 162.5
[M+H-H2O]+ 444.95570 143.8
[M+HCOO]- 506.95664 171.4
[M+CH3COO]- 520.97229 226.1
[M+Na-2H]- 482.93311 151.6
[M]+ 461.95789 151.1
[M]- 461.95899 151.1
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