CID 18071315

3-(5,6-difluoro-1h-1,3-benzodiazol-1-yl)propanoic acid

Structural Information

Molecular Formula
C10H8F2N2O2
SMILES
C1=C2C(=CC(=C1F)F)N(C=N2)CCC(=O)O
InChI
InChI=1S/C10H8F2N2O2/c11-6-3-8-9(4-7(6)12)14(5-13-8)2-1-10(15)16/h3-5H,1-2H2,(H,15,16)
InChIKey
FVQRKYMRDLFRFR-UHFFFAOYSA-N
Compound name
3-(5,6-difluorobenzimidazol-1-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.05539 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.06267 146.7
[M+Na]+ 249.04461 157.7
[M+NH4]+ 244.08921 152.3
[M+K]+ 265.01855 154.3
[M-H]- 225.04811 143.7
[M+Na-2H]- 247.03006 150.2
[M]+ 226.05484 147.1
[M]- 226.05594 147.1
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.

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No patent data available for this compound.