CID 11567168

Perfluoro-3,6-dioxaoctanoic acid

Structural Information

Molecular Formula
C6HF11O4
SMILES
C(=O)(C(OC(C(OC(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C6HF11O4/c7-2(8,1(18)19)20-5(14,15)6(16,17)21-4(12,13)3(9,10)11/h(H,18,19)
InChIKey
HDLFODOGTBJVKF-UHFFFAOYSA-N
Compound name
2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

102
Patents

345.9699 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.97718 185.4
[M+Na]+ 368.95912 185.1
[M+NH4]+ 364.00372 184.0
[M+K]+ 384.93306 183.7
[M-H]- 344.96262 178.3
[M+Na-2H]- 366.94457 182.2
[M]+ 345.96935 183.0
[M]- 345.97045 183.0
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