CID 197559

1-(perfluoro-n-hexyl)decane

Structural Information

Molecular Formula
C16H21F13
SMILES
CCCCCCCCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C16H21F13/c1-2-3-4-5-6-7-8-9-10-11(17,18)12(19,20)13(21,22)14(23,24)15(25,26)16(27,28)29/h2-10H2,1H3
InChIKey
FEBCMJRMESQQMH-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorohexadecane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

79
Patents

460.14355 Da
Monoisotopic Mass

9.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.15083 200.9
[M+Na]+ 483.13277 183.9
[M-H]- 459.13627 176.5
[M+NH4]+ 478.17737 182.9
[M+K]+ 499.10671 202.3
[M+H-H2O]+ 443.14081 186.2
[M+HCOO]- 505.14175 196.4
[M+CH3COO]- 519.15740 235.5
[M+Na-2H]- 481.11822 200.2
[M]+ 460.14300 176.7
[M]- 460.14410 176.7
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