CID 2736583

4415-11-6

Structural Information

Molecular Formula
C11H8ClFN2O2
SMILES
CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)N
InChI
InChI=1S/C11H8ClFN2O2/c1-5-8(11(14)16)10(15-17-5)9-6(12)3-2-4-7(9)13/h2-4H,1H3,(H2,14,16)
InChIKey
PPKCMGUTHICRLU-UHFFFAOYSA-N
Compound name
3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

254.02583 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.03311 152.4
[M+Na]+ 277.01505 163.9
[M-H]- 253.01855 157.9
[M+NH4]+ 272.05965 169.4
[M+K]+ 292.98899 159.9
[M+H-H2O]+ 237.02309 145.2
[M+HCOO]- 299.02403 170.6
[M+CH3COO]- 313.03968 195.0
[M+Na-2H]- 275.00050 154.5
[M]+ 254.02528 154.8
[M]- 254.02638 154.8
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