CID 99647699

Dtxsid80895330

Structural Information

Molecular Formula
C16H9F25
SMILES
CCCCC(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C16H9F25/c1-2-3-4-5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)11(29,30)12(31,32)13(33,34)14(35,36)15(37,38)16(39,40)41/h2-4H2,1H3
InChIKey
ADCGKSAFZSUUER-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-pentacosafluorohexadecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

676.0305 Da
Monoisotopic Mass

10.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 677.037776 197.2
[M+Na]+ 699.019718 200.7
[M-H]- 675.023224 206.1
[M+NH4]+ 694.064323 208.1
[M+K]+ 714.993658 215.0
[M+H-H2O]+ 659.027760 183.8
[M+HCOO]- 721.028701 215.0
[M+CH3COO]- 735.044351 262.2
[M+Na-2H]- 697.005166 197.8
[M]+ 676.02995142 195.5
[M]- 676.03104858 195.5
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.