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 152.5
[M+Na]+ 308.96452 166.9
[M-H]- 284.96802 155.7
[M+NH4]+ 304.00912 172.1
[M+K]+ 324.93846 154.9
[M+H-H2O]+ 268.97256 151.3
[M+HCOO]- 330.97350 171.0
[M+CH3COO]- 344.98915 193.5
[M+Na-2H]- 306.94997 158.2
[M]+ 285.97475 172.9
[M]- 285.97585 172.9
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.