CID 67151368

2792202-01-6

Structural Information

Molecular Formula
C8H5FN2O2
SMILES
C1=C(C=C(C2=C1NC=N2)F)C(=O)O
InChI
InChI=1S/C8H5FN2O2/c9-5-1-4(8(12)13)2-6-7(5)11-3-10-6/h1-3H,(H,10,11)(H,12,13)
InChIKey
IJCHUDLLLWVJBY-UHFFFAOYSA-N
Compound name
7-fluoro-3H-benzimidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

180.03351 Da
Monoisotopic Mass

1.1
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

literature stripe

Patent stripe

patents stripe