CID 165457748

3-(3-fluorooxetan-3-yl)-1,2-oxazole-5-carboxylicacid

Structural Information

Molecular Formula
C7H6FNO4
SMILES
C1C(CO1)(C2=NOC(=C2)C(=O)O)F
InChI
InChI=1S/C7H6FNO4/c8-7(2-12-3-7)5-1-4(6(10)11)13-9-5/h1H,2-3H2,(H,10,11)
InChIKey
KYTZGOZFRWCSOT-UHFFFAOYSA-N
Compound name
3-(3-fluorooxetan-3-yl)-1,2-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.02809 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.03537 127.9
[M+Na]+ 210.01731 135.1
[M-H]- 186.02081 132.5
[M+NH4]+ 205.06191 139.9
[M+K]+ 225.99125 139.4
[M+H-H2O]+ 170.02535 117.5
[M+HCOO]- 232.02629 146.4
[M+CH3COO]- 246.04194 178.9
[M+Na-2H]- 208.00276 134.6
[M]+ 187.02754 137.3
[M]- 187.02864 137.3
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.