CID 53588

(perfluoro-n-octyl)ethane

Structural Information

Molecular Formula
C10H5F17
SMILES
CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H5F17/c1-2-3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h2H2,1H3
InChIKey
JNAIMEWMJYVGEW-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

2927
Patents

448.012 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.01928 162.6
[M+Na]+ 471.00122 162.7
[M+NH4]+ 466.04582 162.4
[M+K]+ 486.97516 162.9
[M-H]- 447.00472 161.2
[M+Na-2H]- 468.98667 162.8
[M]+ 448.01145 162.2
[M]- 448.01255 162.2
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