CID 2776070

(perfluoro-n-decyl)ethane

Structural Information

Molecular Formula
C12H5F21
SMILES
CCC(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H5F21/c1-2-3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)11(29,30)12(31,32)33/h2H2,1H3
InChIKey
HUPGRQWHZOWFPQ-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluorododecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1081
Patents

548.0056 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 549.01288 160.8
[M+Na]+ 570.99482 160.9
[M+NH4]+ 566.03942 160.9
[M+K]+ 586.96876 161.4
[M-H]- 546.99832 160.6
[M+Na-2H]- 568.98027 161.4
[M]+ 548.00505 160.7
[M]- 548.00615 160.7
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