CID 40427472

874800-58-5

Structural Information

Molecular Formula
C9H5F2NO
SMILES
C1=C(ON=C1)C2=CC(=CC(=C2)F)F
InChI
InChI=1S/C9H5F2NO/c10-7-3-6(4-8(11)5-7)9-1-2-12-13-9/h1-5H
InChIKey
CWLVCYQXHDKTOW-UHFFFAOYSA-N
Compound name
5-(3,5-difluorophenyl)-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

181.03392 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.041196 130.4
[M+Na]+ 204.023138 141.3
[M-H]- 180.026644 134.7
[M+NH4]+ 199.067743 149.7
[M+K]+ 219.997078 139.3
[M+H-H2O]+ 164.031180 122.1
[M+HCOO]- 226.032121 153.2
[M+CH3COO]- 240.047771 145.0
[M+Na-2H]- 202.008586 136.9
[M]+ 181.03337142 129.7
[M]- 181.03446858 129.7
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