CID 550388

Perfluoro(butylcyclohexane)

Structural Information

Molecular Formula
C10F20
SMILES
C1(C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C10F20/c11-1(4(16,17)7(22,23)9(26,27)10(28,29)30)2(12,13)5(18,19)8(24,25)6(20,21)3(1,14)15
InChIKey
XZZGMFAUFIVEGL-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclohexane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

441
Patents

499.96805 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.97533 183.5
[M+Na]+ 522.95727 199.6
[M-H]- 498.96077 169.5
[M+NH4]+ 518.00187 200.1
[M+K]+ 538.93121 195.4
[M+H-H2O]+ 482.96531 171.8
[M+HCOO]- 544.96625 178.4
[M+CH3COO]- 558.98190 237.0
[M+Na-2H]- 520.94272 185.5
[M]+ 499.96750 156.9
[M]- 499.96860 156.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe