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
3
Annotation Hits

0
References

101
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 156.8
[M+Na]+ 368.95912 165.8
[M-H]- 344.96262 143.3
[M+NH4]+ 364.00372 144.9
[M+K]+ 384.93306 164.5
[M+H-H2O]+ 328.96716 145.0
[M+HCOO]- 390.96810 157.9
[M+CH3COO]- 404.98375 206.3
[M+Na-2H]- 366.94457 161.1
[M]+ 345.96935 142.2
[M]- 345.97045 142.2
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