CID 15710945

Perfluoro tert-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(F)(F)F)(C(F)(F)F)C(F)(F)F)F
InChI
InChI=1S/C10F20/c11-2(1(8(22,23)24,9(25,26)27)10(28,29)30)3(12,13)5(16,17)7(20,21)6(18,19)4(2,14)15
InChIKey
VLTXBOGHSBHSAC-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclohexane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

5
References

361
Patents

499.96805 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.97533 183.7
[M+Na]+ 522.95727 199.9
[M-H]- 498.96077 169.8
[M+NH4]+ 518.00187 200.4
[M+K]+ 538.93121 195.7
[M+H-H2O]+ 482.96531 172.0
[M+HCOO]- 544.96625 178.5
[M+CH3COO]- 558.98190 235.9
[M+Na-2H]- 520.94272 185.7
[M]+ 499.96750 157.0
[M]- 499.96860 157.0
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