CID 3157481

876710-76-8

Structural Information

Molecular Formula
C8H5FN2O2
SMILES
C1=CC2=C(C=C1F)NC(=N2)C(=O)O
InChI
InChI=1S/C8H5FN2O2/c9-4-1-2-5-6(3-4)11-7(10-5)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChIKey
TYXHLKWWJIWESF-UHFFFAOYSA-N
Compound name
6-fluoro-1H-benzimidazole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

180.03351 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.04079 131.8
[M+Na]+ 203.02273 143.1
[M-H]- 179.02623 130.9
[M+NH4]+ 198.06733 151.0
[M+K]+ 218.99667 139.0
[M+H-H2O]+ 163.03077 124.9
[M+HCOO]- 225.03171 151.8
[M+CH3COO]- 239.04736 174.7
[M+Na-2H]- 201.00818 138.1
[M]+ 180.03296 131.0
[M]- 180.03406 131.0
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