CID 2306688

Nsc636403

Structural Information

Molecular Formula
C11H8FNO2
SMILES
CC1=N/C(=C\C2=CC=C(C=C2)F)/C(=O)O1
InChI
InChI=1S/C11H8FNO2/c1-7-13-10(11(14)15-7)6-8-2-4-9(12)5-3-8/h2-6H,1H3/b10-6-
InChIKey
CJDRPIOMZCOCEB-POHAHGRESA-N
Compound name
(4Z)-4-[(4-fluorophenyl)methylidene]-2-methyl-1,3-oxazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

205.05391 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.06119 139.8
[M+Na]+ 228.04313 150.3
[M-H]- 204.04663 145.4
[M+NH4]+ 223.08773 158.4
[M+K]+ 244.01707 147.8
[M+H-H2O]+ 188.05117 132.5
[M+HCOO]- 250.05211 162.2
[M+CH3COO]- 264.06776 183.7
[M+Na-2H]- 226.02858 144.2
[M]+ 205.05336 139.9
[M]- 205.05446 139.9
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

No patent data available for this compound.