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

5
Patents

181.03392 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.04120 130.4
[M+Na]+ 204.02314 141.3
[M-H]- 180.02664 134.7
[M+NH4]+ 199.06774 149.7
[M+K]+ 219.99708 139.3
[M+H-H2O]+ 164.03118 122.1
[M+HCOO]- 226.03212 153.2
[M+CH3COO]- 240.04777 145.0
[M+Na-2H]- 202.00859 136.9
[M]+ 181.03337 129.7
[M]- 181.03447 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