CID 23447882

1736-18-1

Structural Information

Molecular Formula
C11H8FNO3
SMILES
CC1=C(C(=NO1)C2=CC(=CC=C2)F)C(=O)O
InChI
InChI=1S/C11H8FNO3/c1-6-9(11(14)15)10(13-16-6)7-3-2-4-8(12)5-7/h2-5H,1H3,(H,14,15)
InChIKey
BOTWBGBHYPTPRX-UHFFFAOYSA-N
Compound name
3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

221.04883 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.05611 143.1
[M+Na]+ 244.03805 153.3
[M-H]- 220.04155 147.7
[M+NH4]+ 239.08265 160.2
[M+K]+ 260.01199 151.4
[M+H-H2O]+ 204.04609 135.8
[M+HCOO]- 266.04703 164.4
[M+CH3COO]- 280.06268 185.3
[M+Na-2H]- 242.02350 146.8
[M]+ 221.04828 144.3
[M]- 221.04938 144.3
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