CID 79630918

1528623-85-9

Structural Information

Molecular Formula
C10H8BrFN2O2
SMILES
CCOC(=O)C1=NC2=CC(=C(C=C2N1)F)Br
InChI
InChI=1S/C10H8BrFN2O2/c1-2-16-10(15)9-13-7-3-5(11)6(12)4-8(7)14-9/h3-4H,2H2,1H3,(H,13,14)
InChIKey
KGEUIRFOQOFHBE-UHFFFAOYSA-N
Compound name
ethyl 5-bromo-6-fluoro-1H-benzimidazole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.9753 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.98258 158.6
[M+Na]+ 308.96452 161.4
[M+NH4]+ 304.00912 161.5
[M+K]+ 324.93846 163.1
[M-H]- 284.96802 156.0
[M+Na-2H]- 306.94997 159.4
[M]+ 285.97475 156.8
[M]- 285.97585 156.8
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.