CID 45933664

335-23-9

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
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 183.6
[M+Na]+ 522.95727 199.7
[M-H]- 498.96077 169.7
[M+NH4]+ 518.00187 200.3
[M+K]+ 538.93121 195.5
[M+H-H2O]+ 482.96531 171.9
[M+HCOO]- 544.96625 178.4
[M+CH3COO]- 558.98190 236.5
[M+Na-2H]- 520.94272 185.6
[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

No literature data available for this compound.

Patent stripe

patents stripe