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
2
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]+ 538.972116 170.2
[M+Na]+ 560.954058 175.5
[M-H]- 536.957564 178.3
[M+NH4]+ 555.998663 180.1
[M+K]+ 576.927998 186.0
[M+H-H2O]+ 520.962100 158.7
[M+HCOO]- 582.963041 190.6
[M+CH3COO]- 596.978691 242.0
[M+Na-2H]- 558.939506 171.9
[M]+ 537.96429142 168.4
[M]- 537.96538858 168.4
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.