CID 102157

1,1,1,2,2,3,4,5,5,6,6,6-dodecafluoro-3,4-bis(trifluoromethyl)hexane

Structural Information

Molecular Formula
C8F18
SMILES
C(C(C(C(F)(F)F)(F)F)(C(F)(F)F)F)(C(C(F)(F)F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C8F18/c9-1(5(15,16)17,3(11,12)7(21,22)23)2(10,6(18,19)20)4(13,14)8(24,25)26
InChIKey
AILNJPONTDNFHN-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,4,5,5,6,6,6-dodecafluoro-3,4-bis(trifluoromethyl)hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

437.97125 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.97853 160.1
[M+Na]+ 460.96047 160.3
[M+NH4]+ 456.00507 160.1
[M+K]+ 476.93441 160.7
[M-H]- 436.96397 159.2
[M+Na-2H]- 458.94592 160.7
[M]+ 437.97070 159.9
[M]- 437.97180 159.9
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