CID 70081

1,1,1,2,2,3,4,4,5,5,5-undecafluoro-3-(trifluoromethyl)pentane

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

194
Patents

337.97763 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.984906 159.6
[M+Na]+ 360.966848 169.8
[M-H]- 336.970354 145.1
[M+NH4]+ 356.011453 172.0
[M+K]+ 376.940788 166.8
[M+H-H2O]+ 320.974890 146.0
[M+HCOO]- 382.975831 159.4
[M+CH3COO]- 396.991481 210.2
[M+Na-2H]- 358.952296 163.0
[M]+ 337.97708142 137.3
[M]- 337.97817858 137.3
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