CID 138395076

Dtxsid80897475

Structural Information

Molecular Formula
C20H19F13N2O2
SMILES
C1CN(C(=N1)C2=CC=CC=C2)CC(COCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C20H19F13N2O2/c21-15(22,16(23,24)17(25,26)18(27,28)19(29,30)20(31,32)33)6-9-37-11-13(36)10-35-8-7-34-14(35)12-4-2-1-3-5-12/h1-5,13,36H,6-11H2
InChIKey
RRBZUUUVOKHTLH-UHFFFAOYSA-N
Compound name
1-(2-phenyl-4,5-dihydroimidazol-1-yl)-3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

566.1239 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 567.13118 218.6
[M+Na]+ 589.11312 224.4
[M-H]- 565.11662 206.1
[M+NH4]+ 584.15772 220.6
[M+K]+ 605.08706 218.6
[M+H-H2O]+ 549.12116 201.6
[M+HCOO]- 611.12210 212.7
[M+CH3COO]- 625.13775 245.4
[M+Na-2H]- 587.09857 218.0
[M]+ 566.12335 200.6
[M]- 566.12445 200.6
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.