CID 146082205

1863082-01-2

Structural Information

Molecular Formula
C11H7F2NO3
SMILES
COC(=O)C1=NOC(=C1)C2=C(C=CC=C2F)F
InChI
InChI=1S/C11H7F2NO3/c1-16-11(15)8-5-9(17-14-8)10-6(12)3-2-4-7(10)13/h2-5H,1H3
InChIKey
WCRBNUVYBBLRGF-UHFFFAOYSA-N
Compound name
methyl 5-(2,6-difluorophenyl)-1,2-oxazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.0394 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.046676 145.5
[M+Na]+ 262.028618 156.3
[M-H]- 238.032124 150.1
[M+NH4]+ 257.073223 162.6
[M+K]+ 278.002558 154.7
[M+H-H2O]+ 222.036660 136.9
[M+HCOO]- 284.037601 167.2
[M+CH3COO]- 298.053251 189.9
[M+Na-2H]- 260.014066 149.0
[M]+ 239.03885142 147.4
[M]- 239.03994858 147.4
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.