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

literature stripe

Patent stripe

patents stripe