CID 146109775

2247104-03-4

Structural Information

Molecular Formula
C8H10FNO3
SMILES
CC(C)(CF)C1=NC=C(O1)C(=O)O
InChI
InChI=1S/C8H10FNO3/c1-8(2,4-9)7-10-3-5(13-7)6(11)12/h3H,4H2,1-2H3,(H,11,12)
InChIKey
FCWDZJHGTFVVOG-UHFFFAOYSA-N
Compound name
2-(1-fluoro-2-methylpropan-2-yl)-1,3-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.06447 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.07175 136.5
[M+Na]+ 210.05369 145.1
[M-H]- 186.05719 137.2
[M+NH4]+ 205.09829 154.8
[M+K]+ 226.02763 145.0
[M+H-H2O]+ 170.06173 130.4
[M+HCOO]- 232.06267 155.6
[M+CH3COO]- 246.07832 178.5
[M+Na-2H]- 208.03914 141.7
[M]+ 187.06392 137.6
[M]- 187.06502 137.6
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

No patent data available for this compound.