CID 3164161

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

Structural Information

Molecular Formula
C11H10FNO3
SMILES
CC1(CC(=NO1)C2=CC=CC=C2F)C(=O)O
InChI
InChI=1S/C11H10FNO3/c1-11(10(14)15)6-9(13-16-11)7-4-2-3-5-8(7)12/h2-5H,6H2,1H3,(H,14,15)
InChIKey
FALZLFVZKITYQX-UHFFFAOYSA-N
Compound name
3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.06447 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.07175 144.0
[M+Na]+ 246.05369 153.2
[M-H]- 222.05719 148.2
[M+NH4]+ 241.09829 162.7
[M+K]+ 262.02763 151.7
[M+H-H2O]+ 206.06173 137.1
[M+HCOO]- 268.06267 163.9
[M+CH3COO]- 282.07832 184.0
[M+Na-2H]- 244.03914 148.6
[M]+ 223.06392 143.7
[M]- 223.06502 143.7
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.