CID 2737219

Ethyl 9h-perfluorononanoate

Structural Information

Molecular Formula
C11H6F16O2
SMILES
CCOC(=O)C(C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H6F16O2/c1-2-29-4(28)6(16,17)8(20,21)10(24,25)11(26,27)9(22,23)7(18,19)5(14,15)3(12)13/h3H,2H2,1H3
InChIKey
HRSRZMSDVRJBEZ-UHFFFAOYSA-N
Compound name
ethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

474.01123 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.01851 165.8
[M+Na]+ 497.00045 172.8
[M-H]- 473.00395 172.9
[M+NH4]+ 492.04505 176.9
[M+K]+ 512.97439 179.9
[M+H-H2O]+ 457.00849 158.0
[M+HCOO]- 519.00943 182.8
[M+CH3COO]- 533.02508 234.1
[M+Na-2H]- 494.98590 165.5
[M]+ 474.01068 164.3
[M]- 474.01178 164.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe