CID 2981857

522615-28-7

Structural Information

Molecular Formula
C10H8FNO3
SMILES
C1C(ON=C1C2=CC=C(C=C2)F)C(=O)O
InChI
InChI=1S/C10H8FNO3/c11-7-3-1-6(2-4-7)8-5-9(10(13)14)15-12-8/h1-4,9H,5H2,(H,13,14)
InChIKey
PBZBMHSUDXPYCP-UHFFFAOYSA-N
Compound name
3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

4
Patents

209.04883 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.05611 140.3
[M+Na]+ 232.03805 148.9
[M-H]- 208.04155 144.2
[M+NH4]+ 227.08265 157.4
[M+K]+ 248.01199 147.4
[M+H-H2O]+ 192.04609 132.8
[M+HCOO]- 254.04703 160.4
[M+CH3COO]- 268.06268 181.4
[M+Na-2H]- 230.02350 144.2
[M]+ 209.04828 139.3
[M]- 209.04938 139.3
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