CID 11091210

Perfluoro(2,7-dimethyl-3,6-dioxasuberoyl) fluoride

Structural Information

Molecular Formula
C8F14O4
SMILES
C(=O)(C(C(F)(F)F)(OC(C(OC(C(=O)F)(C(F)(F)F)F)(F)F)(F)F)F)F
InChI
InChI=1S/C8F14O4/c9-1(23)3(11,5(13,14)15)25-7(19,20)8(21,22)26-4(12,2(10)24)6(16,17)18
InChIKey
BICFBNRRGCNLMX-UHFFFAOYSA-N
Compound name
2,3,3,3-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,1,2,3-pentafluoro-3-oxopropan-2-yl)oxyethoxy]propanoyl fluoride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10
Patents

425.9573 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.96458 151.5
[M+Na]+ 448.94652 159.1
[M-H]- 424.95002 159.5
[M+NH4]+ 443.99112 163.2
[M+K]+ 464.92046 162.8
[M+H-H2O]+ 408.95456 158.8
[M+HCOO]- 470.95550 170.2
[M+CH3COO]- 484.97115 222.4
[M+Na-2H]- 446.93197 151.9
[M]+ 425.95675 150.3
[M]- 425.95785 150.3
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