CID 14150202

1-{[1-(1,2-dibromo-1,2,2-trifluoroethoxy)-1,1,2,3,3,3-hexafluoropropan-2-yl]oxy}-1,1,2,2,3,3,3-heptafluoropropane

Structural Information

Molecular Formula
C8Br2F16O2
SMILES
C(C(OC(C(F)(F)Br)(F)Br)(F)F)(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C8Br2F16O2/c9-3(14,15)4(10,16)28-8(25,26)2(13,6(20,21)22)27-7(23,24)1(11,12)5(17,18)19
InChIKey
HMHOHHNZGMYVFY-UHFFFAOYSA-N
Compound name
1-(1,2-dibromo-1,2,2-trifluoroethoxy)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

589.80096 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 590.80824 230.4
[M+Na]+ 612.79018 235.0
[M-H]- 588.79368 235.2
[M+NH4]+ 607.83478 237.8
[M+K]+ 628.76412 240.4
[M+H-H2O]+ 572.79822 230.4
[M+HCOO]- 634.79916 246.2
[M+CH3COO]- 648.81481 239.9
[M+Na-2H]- 610.77563 232.7
[M]+ 589.80041 228.6
[M]- 589.80151 228.6
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

No patent data available for this compound.