CID 138395748

Dtxsid70881000

Structural Information

Molecular Formula
C10F22
SMILES
C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C10F22/c11-1(6(18,19)20,4(14,15)2(12,7(21,22)23)8(24,25)26)5(16,17)3(13,9(27,28)29)10(30,31)32
InChIKey
PSVVJGAGHXHJDI-UHFFFAOYSA-N
Compound name
1,1,1,2,3,3,4,5,5,6,7,7,7-tridecafluoro-2,4,6-tris(trifluoromethyl)heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

537.96484 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 538.97212 161.8
[M+Na]+ 560.95406 161.9
[M+NH4]+ 555.99866 161.9
[M+K]+ 576.92800 162.4
[M-H]- 536.95756 161.7
[M+Na-2H]- 558.93951 162.4
[M]+ 537.96429 161.8
[M]- 537.96539 161.8
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.