CID 99647902

Dtxsid00895332

Structural Information

Molecular Formula
C14H4F26
SMILES
C(CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C14H4F26/c15-3(16,5(19,20)7(23,24)9(27,28)11(31,32)13(35,36)37)1-2-4(17,18)6(21,22)8(25,26)10(29,30)12(33,34)14(38,39)40/h1-2H2
InChIKey
ZPTLSCUEQZRKEY-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,9,9,10,10,11,11,12,12,13,13,14,14,14-hexacosafluorotetradecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

665.9898 Da
Monoisotopic Mass

9.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 666.99708 191.1
[M+Na]+ 688.97902 194.9
[M-H]- 664.98252 200.4
[M+NH4]+ 684.02362 202.0
[M+K]+ 704.95296 208.6
[M+H-H2O]+ 648.98706 178.3
[M+HCOO]- 710.98800 209.2
[M+CH3COO]- 725.00365 259.5
[M+Na-2H]- 686.96447 192.8
[M]+ 665.98925 188.9
[M]- 665.99035 188.9
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.