CID 99769063

Dtxsid60895237

Structural Information

Molecular Formula
C14H16F14
SMILES
C(CCCCC(C(C(F)(F)F)(F)F)(F)F)CCCC(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C14H16F14/c15-9(16,11(19,20)13(23,24)25)7-5-3-1-2-4-6-8-10(17,18)12(21,22)14(26,27)28/h1-8H2
InChIKey
AJIYRVJOPFDXSF-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,12,12,13,13,14,14,14-tetradecafluorotetradecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

450.10284 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.11012 195.8
[M+Na]+ 473.09206 203.1
[M-H]- 449.09556 170.6
[M+NH4]+ 468.13666 176.5
[M+K]+ 489.06600 198.2
[M+H-H2O]+ 433.10010 180.7
[M+HCOO]- 495.10104 190.4
[M+CH3COO]- 509.11669 232.2
[M+Na-2H]- 471.07751 195.4
[M]+ 450.10229 169.5
[M]- 450.10339 169.5
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

No patent data available for this compound.