CID 131872669

135339-05-8

Structural Information

Molecular Formula
C17H9F15N2O2
SMILES
CCOC(=O)C1=C(N=C2N1C=CC=C2)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C17H9F15N2O2/c1-2-36-10(35)8-9(33-7-5-3-4-6-34(7)8)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)32/h3-6H,2H2,1H3
InChIKey
AILIUGSCIINIHV-UHFFFAOYSA-N
Compound name
ethyl 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)imidazo[1,2-a]pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

558.0425 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 559.04978 167.0
[M+Na]+ 581.03172 167.1
[M+NH4]+ 576.07632 166.4
[M+K]+ 597.00566 167.2
[M-H]- 557.03522 164.4
[M+Na-2H]- 579.01717 166.8
[M]+ 558.04195 166.2
[M]- 558.04305 166.2
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

No patent data available for this compound.