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

57
Patents

166.05424 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.061516 128.2
[M+Na]+ 189.043458 141.3
[M-H]- 165.046964 129.0
[M+NH4]+ 184.088063 149.3
[M+K]+ 205.017398 137.1
[M+H-H2O]+ 149.051500 121.4
[M+HCOO]- 211.052441 150.5
[M+CH3COO]- 225.068091 142.9
[M+Na-2H]- 187.028906 135.4
[M]+ 166.05369142 128.9
[M]- 166.05478858 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