CID 11761588

Ethyl 3-(perfluorohexyl)propanoate

Structural Information

Molecular Formula
C11H9F13O2
SMILES
CCOC(=O)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H9F13O2/c1-2-26-5(25)3-4-6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h2-4H2,1H3
InChIKey
QMPHOSZUUXOKIV-UHFFFAOYSA-N
Compound name
ethyl 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

420.0395 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.04678 181.4
[M+Na]+ 443.02872 181.3
[M+NH4]+ 438.07332 180.4
[M+K]+ 459.00266 180.0
[M-H]- 419.03222 176.8
[M+Na-2H]- 441.01417 179.4
[M]+ 420.03895 179.9
[M]- 420.04005 179.9
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