CID 101640

306-98-9

Structural Information

Molecular Formula
C8F16
SMILES
C1(C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F)(C(F)(F)F)F
InChI
InChI=1S/C8F16/c9-1(7(19,20)21)2(10,8(22,23)24)4(13,14)6(17,18)5(15,16)3(1,11)12
InChIKey
GHBZJUJZNRLHBI-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,6-decafluoro-5,6-bis(trifluoromethyl)cyclohexane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

438
Patents

399.97446 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.98174 163.9
[M+Na]+ 422.96368 164.1
[M+NH4]+ 418.00828 164.0
[M+K]+ 438.93762 163.5
[M-H]- 398.96718 162.1
[M+Na-2H]- 420.94913 164.3
[M]+ 399.97391 163.4
[M]- 399.97501 163.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe