CID 165842425

2228703-86-2

Structural Information

Molecular Formula
C7H8FNO3
SMILES
CC(C)(C1=CC(=NO1)C(=O)O)F
InChI
InChI=1S/C7H8FNO3/c1-7(2,8)5-3-4(6(10)11)9-12-5/h3H,1-2H3,(H,10,11)
InChIKey
CSLIOLHLHVVDCU-UHFFFAOYSA-N
Compound name
5-(2-fluoropropan-2-yl)-1,2-oxazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

173.04883 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.05611 131.7
[M+Na]+ 196.03805 140.7
[M-H]- 172.04155 132.6
[M+NH4]+ 191.08265 150.6
[M+K]+ 212.01199 140.9
[M+H-H2O]+ 156.04609 125.9
[M+HCOO]- 218.04703 151.2
[M+CH3COO]- 232.06268 175.5
[M+Na-2H]- 194.02350 137.5
[M]+ 173.04828 132.5
[M]- 173.04938 132.5
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