CID 2776113

400626-82-6

Structural Information

Molecular Formula
C11F22O
SMILES
C1(C(C(C(C(C1(F)F)(F)F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)(C(C(F)(F)F)(F)F)F
InChI
InChI=1S/C11F22O/c12-1(4(17,18)9(26,27)28)2(13,14)5(19,20)6(21,22)8(25,3(1,15)16)34-11(32,33)7(23,24)10(29,30)31
InChIKey
KJWVJLNGXBWWIH-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,5,5,6-decafluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)-6-(1,1,2,2,2-pentafluoroethyl)cyclohexane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

565.9598 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 566.96708 200.1
[M+Na]+ 588.94902 215.9
[M-H]- 564.95252 185.1
[M+NH4]+ 583.99362 213.9
[M+K]+ 604.92296 212.1
[M+H-H2O]+ 548.95706 188.0
[M+HCOO]- 610.95800 192.2
[M+CH3COO]- 624.97365 245.1
[M+Na-2H]- 586.93447 202.0
[M]+ 565.95925 172.0
[M]- 565.96035 172.0
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.