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

0
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

literature stripe

Patent stripe

patents stripe