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]+ 224.071746 144.0
[M+Na]+ 246.053688 153.2
[M-H]- 222.057194 148.2
[M+NH4]+ 241.098293 162.7
[M+K]+ 262.027628 151.7
[M+H-H2O]+ 206.061730 137.1
[M+HCOO]- 268.062671 163.9
[M+CH3COO]- 282.078321 184.0
[M+Na-2H]- 244.039136 148.6
[M]+ 223.06392142 143.7
[M]- 223.06501858 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.