CID 90776579

1804058-82-9

Structural Information

Molecular Formula
C8H6FN3O
SMILES
C1=C(C=C2C(=C1C(=O)N)N=CN2)F
InChI
InChI=1S/C8H6FN3O/c9-4-1-5(8(10)13)7-6(2-4)11-3-12-7/h1-3H,(H2,10,13)(H,11,12)
InChIKey
IIZAOVDGJWFBPA-UHFFFAOYSA-N
Compound name
6-fluoro-1H-benzimidazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

179.04948 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.056756 132.4
[M+Na]+ 202.038698 143.4
[M-H]- 178.042204 132.4
[M+NH4]+ 197.083303 151.8
[M+K]+ 218.012638 139.2
[M+H-H2O]+ 162.046740 125.0
[M+HCOO]- 224.047681 154.2
[M+CH3COO]- 238.063331 179.5
[M+Na-2H]- 200.024146 138.6
[M]+ 179.04893142 130.4
[M]- 179.05002858 130.4
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