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]+ 289.05385 162.0
[M+Na]+ 311.03579 175.4
[M-H]- 287.03929 168.4
[M+NH4]+ 306.08039 180.6
[M+K]+ 327.00973 169.5
[M+H-H2O]+ 271.04383 153.9
[M+HCOO]- 333.04477 178.0
[M+CH3COO]- 347.06042 175.2
[M+Na-2H]- 309.02124 165.5
[M]+ 288.04602 166.4
[M]- 288.04712 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.