CID 3157492

82138-57-6

Structural Information

Molecular Formula
C10H9FN2O2
SMILES
C1=CC2=C(C=C1F)NC(=N2)CCC(=O)O
InChI
InChI=1S/C10H9FN2O2/c11-6-1-2-7-8(5-6)13-9(12-7)3-4-10(14)15/h1-2,5H,3-4H2,(H,12,13)(H,14,15)
InChIKey
BKAQRRKGTFCGHG-UHFFFAOYSA-N
Compound name
3-(6-fluoro-1H-benzimidazol-2-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.0648 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.07208 142.7
[M+Na]+ 231.05402 154.1
[M+NH4]+ 226.09862 149.0
[M+K]+ 247.02796 150.8
[M-H]- 207.05752 140.8
[M+Na-2H]- 229.03947 146.8
[M]+ 208.06425 143.4
[M]- 208.06535 143.4
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

No patent data available for this compound.