CID 99769049

Dtxsid80895219

Structural Information

Molecular Formula
C12H12F14
SMILES
C(CCCC(C(C(F)(F)F)(F)F)(F)F)CCC(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H12F14/c13-7(14,9(17,18)11(21,22)23)5-3-1-2-4-6-8(15,16)10(19,20)12(24,25)26/h1-6H2
InChIKey
XLCYITIKRMXGCZ-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,10,10,11,11,12,12,12-tetradecafluorododecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

422.07153 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.07881 186.8
[M+Na]+ 445.06075 194.8
[M-H]- 421.06425 171.3
[M+NH4]+ 440.10535 169.0
[M+K]+ 461.03469 190.4
[M+H-H2O]+ 405.06879 172.1
[M+HCOO]- 467.06973 183.5
[M+CH3COO]- 481.08538 226.9
[M+Na-2H]- 443.04620 187.4
[M]+ 422.07098 166.7
[M]- 422.07208 166.7
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.