CID 65712640

2-(3-fluorophenyl)-4-methyl-1,3-oxazole-5-carboxylic acid

Structural Information

Molecular Formula
C11H8FNO3
SMILES
CC1=C(OC(=N1)C2=CC(=CC=C2)F)C(=O)O
InChI
InChI=1S/C11H8FNO3/c1-6-9(11(14)15)16-10(13-6)7-3-2-4-8(12)5-7/h2-5H,1H3,(H,14,15)
InChIKey
UXSLDLKOCIPDRV-UHFFFAOYSA-N
Compound name
2-(3-fluorophenyl)-4-methyl-1,3-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.04883 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.056106 143.1
[M+Na]+ 244.038048 153.3
[M-H]- 220.041554 147.7
[M+NH4]+ 239.082653 160.2
[M+K]+ 260.011988 151.4
[M+H-H2O]+ 204.046090 135.8
[M+HCOO]- 266.047031 164.4
[M+CH3COO]- 280.062681 185.3
[M+Na-2H]- 242.023496 146.8
[M]+ 221.04828142 144.3
[M]- 221.04937858 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

No patent data available for this compound.