CID 12025749

1,1,1,2,2,5,5,6,6,6-decafluorohexane

Structural Information

Molecular Formula
C6H4F10
SMILES
C(CC(C(F)(F)F)(F)F)C(C(F)(F)F)(F)F
InChI
InChI=1S/C6H4F10/c7-3(8,5(11,12)13)1-2-4(9,10)6(14,15)16/h1-2H2
InChIKey
FUCPNELYUCUXTJ-UHFFFAOYSA-N
Compound name
1,1,1,2,2,5,5,6,6,6-decafluorohexane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

123
Patents

266.01532 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.02260 145.9
[M+Na]+ 289.00454 155.3
[M-H]- 265.00804 134.6
[M+NH4]+ 284.04914 161.9
[M+K]+ 304.97848 152.8
[M+H-H2O]+ 249.01258 134.5
[M+HCOO]- 311.01352 152.7
[M+CH3COO]- 325.02917 197.4
[M+Na-2H]- 286.98999 149.9
[M]+ 266.01477 131.0
[M]- 266.01587 131.0
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