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]+ 567.00343 176.4
[M+Na]+ 588.98537 181.3
[M-H]- 564.98887 183.7
[M+NH4]+ 584.02997 186.1
[M+K]+ 604.95931 192.5
[M+H-H2O]+ 548.99341 164.6
[M+HCOO]- 610.99435 195.9
[M+CH3COO]- 625.01000 247.9
[M+Na-2H]- 586.97082 177.2
[M]+ 565.99560 174.5
[M]- 565.99670 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.