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 141.2
[M+Na]+ 231.05402 151.5
[M-H]- 207.05752 139.9
[M+NH4]+ 226.09862 159.2
[M+K]+ 247.02796 147.0
[M+H-H2O]+ 191.06206 133.8
[M+HCOO]- 253.06300 160.5
[M+CH3COO]- 267.07865 180.8
[M+Na-2H]- 229.03947 146.4
[M]+ 208.06425 141.0
[M]- 208.06535 141.0
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

No patent data available for this compound.