CID 72762

52169-84-3

Structural Information

Molecular Formula
C11H9FN2O2
SMILES
CC1=C(N=C(O1)C2=CC=CC=C2F)C(=O)N
InChI
InChI=1S/C11H9FN2O2/c1-6-9(10(13)15)14-11(16-6)7-4-2-3-5-8(7)12/h2-5H,1H3,(H2,13,15)
InChIKey
IQDXIVVXUQTUQY-UHFFFAOYSA-N
Compound name
2-(2-fluorophenyl)-5-methyl-1,3-oxazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

220.0648 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.072076 145.1
[M+Na]+ 243.054018 155.0
[M-H]- 219.057524 150.5
[M+NH4]+ 238.098623 162.4
[M+K]+ 259.027958 152.8
[M+H-H2O]+ 203.062060 137.2
[M+HCOO]- 265.063001 168.1
[M+CH3COO]- 279.078651 190.0
[M+Na-2H]- 241.039466 148.5
[M]+ 220.06425142 145.0
[M]- 220.06534858 145.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe