CID 14178042

Perfluoro-5,5'-bis(trifluoromethyl)-1,1'-bicyclohexyl

Structural Information

Molecular Formula
C14F26
SMILES
C1(C(C(C(C(C1(F)F)(F)F)(F)F)(C(F)(F)F)F)(F)F)(C2(C(C(C(C(C2(F)F)(F)F)(F)F)(C(F)(F)F)F)(F)F)F)F
InChI
InChI=1S/C14F26/c15-1(5(19,20)3(17,13(35,36)37)9(27,28)11(31,32)7(1,23)24)2(16)6(21,22)4(18,14(38,39)40)10(29,30)12(33,34)8(2,25)26
InChIKey
FDFOVWJGNPGGIZ-UHFFFAOYSA-N
Compound name
1-[1,2,2,3,3,4,4,5,6,6-decafluoro-5-(trifluoromethyl)cyclohexyl]-1,2,2,3,3,4,4,5,6,6-decafluoro-5-(trifluoromethyl)cyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

661.9585 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 662.96578 167.5
[M+Na]+ 684.94772 167.5
[M+NH4]+ 679.99232 167.5
[M+K]+ 700.92166 167.7
[M-H]- 660.95122 167.5
[M+Na-2H]- 682.93317 167.7
[M]+ 661.95795 167.5
[M]- 661.95905 167.5
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