CID 213653

26859-72-3

Structural Information

Molecular Formula
C16H13FN2O
SMILES
C1CN2C(=N1)C3=CC=CC=C3C2(C4=CC=C(C=C4)F)O
InChI
InChI=1S/C16H13FN2O/c17-12-7-5-11(6-8-12)16(20)14-4-2-1-3-13(14)15-18-9-10-19(15)16/h1-8,20H,9-10H2
InChIKey
FVOUPQLWOHOBOF-UHFFFAOYSA-N
Compound name
5-(4-fluorophenyl)-2,3-dihydroimidazo[1,2-b]isoindol-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

268.1012 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.10848 159.5
[M+Na]+ 291.09042 170.4
[M-H]- 267.09392 163.9
[M+NH4]+ 286.13502 180.3
[M+K]+ 307.06436 164.1
[M+H-H2O]+ 251.09846 150.9
[M+HCOO]- 313.09940 178.1
[M+CH3COO]- 327.11505 171.7
[M+Na-2H]- 289.07587 163.2
[M]+ 268.10065 158.3
[M]- 268.10175 158.3
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