CID 22636217

348133-45-9

Structural Information

Molecular Formula
C8H7FN2O
SMILES
CN1C2=C(C=CC(=C2)F)NC1=O
InChI
InChI=1S/C8H7FN2O/c1-11-7-4-5(9)2-3-6(7)10-8(11)12/h2-4H,1H3,(H,10,12)
InChIKey
UUVUHCAHXNGVLI-UHFFFAOYSA-N
Compound name
5-fluoro-3-methyl-1H-benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

166.05424 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.06152 128.2
[M+Na]+ 189.04346 141.3
[M-H]- 165.04696 129.0
[M+NH4]+ 184.08806 149.3
[M+K]+ 205.01740 137.1
[M+H-H2O]+ 149.05150 121.4
[M+HCOO]- 211.05244 150.5
[M+CH3COO]- 225.06809 142.9
[M+Na-2H]- 187.02891 135.4
[M]+ 166.05369 128.9
[M]- 166.05479 128.9
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

patents stripe