CID 9639

Perfluorohexane

Structural Information

Molecular Formula
C6F14
SMILES
C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C6F14/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)20
InChIKey
ZJIJAJXFLBMLCK-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

336
References

30933
Patents

337.97763 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.98491 159.5
[M+Na]+ 360.96685 169.7
[M-H]- 336.97035 145.0
[M+NH4]+ 356.01145 171.9
[M+K]+ 376.94079 166.7
[M+H-H2O]+ 320.97489 145.8
[M+HCOO]- 382.97583 159.3
[M+CH3COO]- 396.99148 210.8
[M+Na-2H]- 358.95230 162.9
[M]+ 337.97708 137.2
[M]- 337.97818 137.2
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