CID 39961

Brn 1085069

Structural Information

Molecular Formula
C16H12FNO3
SMILES
CC(C1=CC2=C(C=C1)OC(=N2)C3=CC=CC=C3F)C(=O)O
InChI
InChI=1S/C16H12FNO3/c1-9(16(19)20)10-6-7-14-13(8-10)18-15(21-14)11-4-2-3-5-12(11)17/h2-9H,1H3,(H,19,20)
InChIKey
LVDKGYHINGQDRF-UHFFFAOYSA-N
Compound name
2-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

285.0801 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.08738 161.8
[M+Na]+ 308.06932 171.8
[M-H]- 284.07282 167.3
[M+NH4]+ 303.11392 177.1
[M+K]+ 324.04326 168.4
[M+H-H2O]+ 268.07736 153.6
[M+HCOO]- 330.07830 181.5
[M+CH3COO]- 344.09395 174.2
[M+Na-2H]- 306.05477 165.3
[M]+ 285.07955 164.4
[M]- 285.08065 164.4
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

patents stripe