CID 158082

82361-04-4

Structural Information

Molecular Formula
C16H9Cl2FN2O2
SMILES
C1=CC(=C(C(=C1)Cl)C(=O)NC2=NOC(=C2)C3=CC=C(C=C3)F)Cl
InChI
InChI=1S/C16H9Cl2FN2O2/c17-11-2-1-3-12(18)15(11)16(22)20-14-8-13(23-21-14)9-4-6-10(19)7-5-9/h1-8H,(H,20,21,22)
InChIKey
ONUJRNZCRGJIOA-UHFFFAOYSA-N
Compound name
2,6-dichloro-N-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

350.0025 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.00978 176.7
[M+Na]+ 372.99172 187.6
[M-H]- 348.99522 184.6
[M+NH4]+ 368.03632 189.9
[M+K]+ 388.96566 181.3
[M+H-H2O]+ 332.99976 168.0
[M+HCOO]- 395.00070 189.9
[M+CH3COO]- 409.01635 188.1
[M+Na-2H]- 370.97717 178.3
[M]+ 350.00195 180.8
[M]- 350.00305 180.8
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