CID 10874009

Perfluorohexylethyl dimethylbutyl ether

Structural Information

Molecular Formula
C14H17F13O
SMILES
CC(C)CC(C)OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C14H17F13O/c1-7(2)6-8(3)28-5-4-9(15,16)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h7-8H,4-6H2,1-3H3
InChIKey
REMSMUILZZYKPD-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-(4-methylpentan-2-yloxy)octane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

38
Patents

448.10718 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.11446 173.9
[M+Na]+ 471.09640 181.0
[M-H]- 447.09990 177.0
[M+NH4]+ 466.14100 182.9
[M+K]+ 487.07034 187.3
[M+H-H2O]+ 431.10444 177.1
[M+HCOO]- 493.10538 189.3
[M+CH3COO]- 507.12103 233.1
[M+Na-2H]- 469.08185 190.0
[M]+ 448.10663 173.2
[M]- 448.10773 173.2
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