CID 2769356

129301-40-2

Structural Information

Molecular Formula
C9H3F15O4
SMILES
COC(=O)C(OC(C(OC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9H3F15O4/c1-26-2(25)3(10,11)27-8(21,22)9(23,24)28-7(19,20)5(14,15)4(12,13)6(16,17)18/h1H3
InChIKey
FBGFUFLXPSSLND-UHFFFAOYSA-N
Compound name
methyl 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]acetate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

35
Patents

459.9792 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.98648 156.8
[M+Na]+ 482.96842 163.0
[M-H]- 458.97192 164.6
[M+NH4]+ 478.01302 168.0
[M+K]+ 498.94236 168.5
[M+H-H2O]+ 442.97646 149.0
[M+HCOO]- 504.97740 177.1
[M+CH3COO]- 518.99305 228.6
[M+Na-2H]- 480.95387 156.5
[M]+ 459.97865 156.5
[M]- 459.97975 156.5
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