CID 487465

1h,3h-oxazolo[3,4-a]benzimidazole, 1-(2-chloro-5-fluorophenyl)-

Structural Information

Molecular Formula
C15H10ClFN2O
SMILES
C1C2=NC3=CC=CC=C3N2C(O1)C4=C(C=CC(=C4)F)Cl
InChI
InChI=1S/C15H10ClFN2O/c16-11-6-5-9(17)7-10(11)15-19-13-4-2-1-3-12(13)18-14(19)8-20-15/h1-7,15H,8H2
InChIKey
OVAZJOGKZXSSPU-UHFFFAOYSA-N
Compound name
1-(2-chloro-5-fluorophenyl)-1,3-dihydro-[1,3]oxazolo[3,4-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

288.04657 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.053846 162.0
[M+Na]+ 311.035788 175.4
[M-H]- 287.039294 168.4
[M+NH4]+ 306.080393 180.6
[M+K]+ 327.009728 169.5
[M+H-H2O]+ 271.043830 153.9
[M+HCOO]- 333.044771 178.0
[M+CH3COO]- 347.060421 175.2
[M+Na-2H]- 309.021236 165.5
[M]+ 288.04602142 166.4
[M]- 288.04711858 166.4
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

No patent data available for this compound.