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]+ 500.975326 183.6
[M+Na]+ 522.957268 199.7
[M-H]- 498.960774 169.7
[M+NH4]+ 518.001873 200.3
[M+K]+ 538.931208 195.5
[M+H-H2O]+ 482.965310 171.9
[M+HCOO]- 544.966251 178.4
[M+CH3COO]- 558.981901 236.5
[M+Na-2H]- 520.942716 185.6
[M]+ 499.96750142 156.9
[M]- 499.96859858 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