CID 99769078

Dtxsid40895255

Structural Information

Molecular Formula
C16H20F14
SMILES
C(CCCCCC(C(C(F)(F)F)(F)F)(F)F)CCCCC(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C16H20F14/c17-11(18,13(21,22)15(25,26)27)9-7-5-3-1-2-4-6-8-10-12(19,20)14(23,24)16(28,29)30/h1-10H2
InChIKey
VRQXYADBEKKVLC-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,14,14,15,15,16,16,16-tetradecafluorohexadecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

478.13416 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.14144 178.7
[M+Na]+ 501.12338 184.9
[M-H]- 477.12688 177.6
[M+NH4]+ 496.16798 184.1
[M+K]+ 517.09732 191.4
[M+H-H2O]+ 461.13142 189.2
[M+HCOO]- 523.13236 197.3
[M+CH3COO]- 537.14801 237.5
[M+Na-2H]- 499.10883 203.3
[M]+ 478.13361 176.9
[M]- 478.13471 176.9
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

No patent data available for this compound.