CID 71405907

Pentane, 1,1,1,2,3,3-hexafluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)-

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
3
Annotation Hits

0
References

528
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 161.3
[M+Na]+ 369.01192 169.5
[M-H]- 345.01542 147.7
[M+NH4]+ 364.05652 173.7
[M+K]+ 384.98586 167.5
[M+H-H2O]+ 329.01996 148.2
[M+HCOO]- 391.02090 163.1
[M+CH3COO]- 405.03655 212.9
[M+Na-2H]- 366.99737 160.2
[M]+ 346.02215 143.8
[M]- 346.02325 143.8
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