CID 21962903

407640-15-7

Structural Information

Molecular Formula
C12H10FNO3
SMILES
CC1=C(N=C(O1)C2=CC=C(C=C2)F)CC(=O)O
InChI
InChI=1S/C12H10FNO3/c1-7-10(6-11(15)16)14-12(17-7)8-2-4-9(13)5-3-8/h2-5H,6H2,1H3,(H,15,16)
InChIKey
BYFWOMRUSAYTCY-UHFFFAOYSA-N
Compound name
2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

235.06447 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.07175 151.6
[M+Na]+ 258.05369 163.8
[M+NH4]+ 253.09829 158.0
[M+K]+ 274.02763 160.6
[M-H]- 234.05719 153.3
[M+Na-2H]- 256.03914 156.8
[M]+ 235.06392 153.6
[M]- 235.06502 153.6
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