CID 12154169

4-[3-(perfluorooctyl)-1-propyloxy]benzaldehyde

Structural Information

Molecular Formula
C18H11F17O2
SMILES
C1=CC(=CC=C1C=O)OCCCC(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/C18H11F17O2/c19-11(20,6-1-7-37-10-4-2-9(8-36)3-5-10)12(21,22)13(23,24)14(25,26)15(27,28)16(29,30)17(31,32)18(33,34)35/h2-5,8H,1,6-7H2
InChIKey
KOLANEVLEDPTQG-UHFFFAOYSA-N
Compound name
4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

11
Patents

582.04877 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 583.05605 162.6
[M+Na]+ 605.03799 162.7
[M+NH4]+ 600.08259 162.4
[M+K]+ 621.01193 162.9
[M-H]- 581.04149 161.2
[M+Na-2H]- 603.02344 162.9
[M]+ 582.04822 162.2
[M]- 582.04932 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