CID 17010630

2-(4-fluorophenyl)-1h-1,3-benzodiazole-6-carboxylic acid

Structural Information

Molecular Formula
C14H9FN2O2
SMILES
C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)C(=O)O)F
InChI
InChI=1S/C14H9FN2O2/c15-10-4-1-8(2-5-10)13-16-11-6-3-9(14(18)19)7-12(11)17-13/h1-7H,(H,16,17)(H,18,19)
InChIKey
YLECAKVNZMDMNS-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-3H-benzimidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

256.06482 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.07210 153.5
[M+Na]+ 279.05404 164.3
[M-H]- 255.05754 155.9
[M+NH4]+ 274.09864 169.3
[M+K]+ 295.02798 158.1
[M+H-H2O]+ 239.06208 145.0
[M+HCOO]- 301.06302 172.8
[M+CH3COO]- 315.07867 165.5
[M+Na-2H]- 277.03949 158.2
[M]+ 256.06427 152.7
[M]- 256.06537 152.7
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