CID 212292

24033-18-9

Structural Information

Molecular Formula
C17H13F3N2O
SMILES
C1CN2C(=N1)C3=CC=CC=C3C2(C4=CC=C(C=C4)C(F)(F)F)O
InChI
InChI=1S/C17H13F3N2O/c18-17(19,20)12-7-5-11(6-8-12)16(23)14-4-2-1-3-13(14)15-21-9-10-22(15)16/h1-8,23H,9-10H2
InChIKey
GOLJCLWIKGHNDS-UHFFFAOYSA-N
Compound name
5-[4-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[1,2-b]isoindol-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

318.098 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.10528 171.4
[M+Na]+ 341.08722 182.3
[M-H]- 317.09072 173.3
[M+NH4]+ 336.13182 190.3
[M+K]+ 357.06116 175.5
[M+H-H2O]+ 301.09526 161.6
[M+HCOO]- 363.09620 185.9
[M+CH3COO]- 377.11185 182.1
[M+Na-2H]- 339.07267 174.5
[M]+ 318.09745 167.9
[M]- 318.09855 167.9
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

No patent data available for this compound.