CID 98452482

Dtxsid90895265

Structural Information

Molecular Formula
C12H4F22
SMILES
C(CC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H4F22/c13-3(14,5(17,18)7(21,22)9(25,26)11(29,30)31)1-2-4(15,16)6(19,20)8(23,24)10(27,28)12(32,33)34/h1-2H2
InChIKey
RVPRLHLWDOJBHQ-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,8,8,9,9,10,10,11,11,12,12,12-docosafluorododecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

565.99615 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 567.003426 176.4
[M+Na]+ 588.985368 181.3
[M-H]- 564.988874 183.7
[M+NH4]+ 584.029973 186.1
[M+K]+ 604.959308 192.5
[M+H-H2O]+ 548.993410 164.6
[M+HCOO]- 610.994351 195.9
[M+CH3COO]- 625.010001 247.9
[M+Na-2H]- 586.970816 177.2
[M]+ 565.99560142 174.5
[M]- 565.99669858 174.5
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.