CID 155821709

2445792-69-6

Structural Information

Molecular Formula
C11H7F2NO3
SMILES
COC(=O)C1=NOC=C1C2=C(C=C(C=C2)F)F
InChI
InChI=1S/C11H7F2NO3/c1-16-11(15)10-8(5-17-14-10)7-3-2-6(12)4-9(7)13/h2-5H,1H3
InChIKey
FYEVJJMSGWWKKS-UHFFFAOYSA-N
Compound name
methyl 4-(2,4-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]+ 240.04668 145.5
[M+Na]+ 262.02862 156.3
[M-H]- 238.03212 150.1
[M+NH4]+ 257.07322 162.6
[M+K]+ 278.00256 154.7
[M+H-H2O]+ 222.03666 136.9
[M+HCOO]- 284.03760 167.2
[M+CH3COO]- 298.05325 189.9
[M+Na-2H]- 260.01407 149.0
[M]+ 239.03885 147.4
[M]- 239.03995 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.