CID 13813716

100646-00-2

Structural Information

Molecular Formula
C8H5F13
SMILES
CCC(C(C(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C8H5F13/c1-2-3(6(13,14)15,7(16,17)18)4(9,10)5(11,12)8(19,20)21/h2H2,1H3
InChIKey
LRXFRJILXQOPKW-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3-heptafluoro-4,4-bis(trifluoromethyl)hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

348.01837 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.02565 178.4
[M+Na]+ 371.00759 178.5
[M+NH4]+ 366.05219 177.7
[M+K]+ 386.98153 177.2
[M-H]- 347.01109 174.0
[M+Na-2H]- 368.99304 176.7
[M]+ 348.01782 177.0
[M]- 348.01892 177.0
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