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

9
Patents

179.04948 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.05676 132.4
[M+Na]+ 202.03870 143.4
[M-H]- 178.04220 132.4
[M+NH4]+ 197.08330 151.8
[M+K]+ 218.01264 139.2
[M+H-H2O]+ 162.04674 125.0
[M+HCOO]- 224.04768 154.2
[M+CH3COO]- 238.06333 179.5
[M+Na-2H]- 200.02415 138.6
[M]+ 179.04893 130.4
[M]- 179.05003 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