CID 162345326

(3s)-1,1,1,2,2,3,5,5,6,6,6-undecafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)hexane

Structural Information

Molecular Formula
C10F22
SMILES
[C@](C(C(C(F)(F)F)(F)F)(C(C(F)(F)F)(F)F)C(F)(F)F)(C(C(F)(F)F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C10F22/c11-2(7(21,22)23,5(16,17)10(30,31)32)1(6(18,19)20,3(12,13)8(24,25)26)4(14,15)9(27,28)29/t2-/m0/s1
InChIKey
MORRHGXSKNTVCN-REOHCLBHSA-N
Compound name
(3S)-1,1,1,2,2,3,5,5,6,6,6-undecafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

537.96484 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 538.97212 170.2
[M+Na]+ 560.95406 175.5
[M-H]- 536.95756 178.3
[M+NH4]+ 555.99866 180.1
[M+K]+ 576.92800 186.0
[M+H-H2O]+ 520.96210 158.7
[M+HCOO]- 582.96304 190.6
[M+CH3COO]- 596.97869 242.0
[M+Na-2H]- 558.93951 171.9
[M]+ 537.96429 168.4
[M]- 537.96539 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.