CID 71405907

870778-34-0

Structural Information

Molecular Formula
C8H6F12O
SMILES
CC(C(C(C(F)(F)F)F)(F)F)OC(C(C(F)(F)F)F)(F)F
InChI
InChI=1S/C8H6F12O/c1-2(5(11,12)3(9)6(13,14)15)21-8(19,20)4(10)7(16,17)18/h2-4H,1H3
InChIKey
TZMQCOROQZMJIS-UHFFFAOYSA-N
Compound name
1,1,1,2,3,3-hexafluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)pentane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

468
Patents

346.0227 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.02998 181.1
[M+Na]+ 369.01192 181.1
[M+NH4]+ 364.05652 180.2
[M+K]+ 384.98586 179.6
[M-H]- 345.01542 175.5
[M+Na-2H]- 366.99737 178.7
[M]+ 346.02215 179.3
[M]- 346.02325 179.3
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