CID 63772168

5-fluoro-1-methyl-1h-1,3-benzodiazole-2-carbaldehyde

Structural Information

Molecular Formula
C9H7FN2O
SMILES
CN1C2=C(C=C(C=C2)F)N=C1C=O
InChI
InChI=1S/C9H7FN2O/c1-12-8-3-2-6(10)4-7(8)11-9(12)5-13/h2-5H,1H3
InChIKey
OMNSOHIJXAYQPS-UHFFFAOYSA-N
Compound name
5-fluoro-1-methylbenzimidazole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

178.05424 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.061516 131.9
[M+Na]+ 201.043458 144.9
[M-H]- 177.046964 133.8
[M+NH4]+ 196.088063 153.0
[M+K]+ 217.017398 141.4
[M+H-H2O]+ 161.051500 124.5
[M+HCOO]- 223.052441 155.3
[M+CH3COO]- 237.068091 181.1
[M+Na-2H]- 199.028906 139.0
[M]+ 178.05369142 134.7
[M]- 178.05478858 134.7
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.