CID 3003728

(2e)-2-[(4-fluorophenyl)methylene]oxazol-5-one

Structural Information

Molecular Formula
C10H6FNO2
SMILES
C1=CC(=CC=C1/C=C/2\N=CC(=O)O2)F
InChI
InChI=1S/C10H6FNO2/c11-8-3-1-7(2-4-8)5-9-12-6-10(13)14-9/h1-6H/b9-5+
InChIKey
PTEJNJPLQGCIOA-WEVVVXLNSA-N
Compound name
(2E)-2-[(4-fluorophenyl)methylidene]-1,3-oxazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.03825 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.04553 135.4
[M+Na]+ 214.02747 145.4
[M-H]- 190.03097 140.7
[M+NH4]+ 209.07207 154.2
[M+K]+ 230.00141 143.1
[M+H-H2O]+ 174.03551 128.0
[M+HCOO]- 236.03645 158.1
[M+CH3COO]- 250.05210 179.5
[M+Na-2H]- 212.01292 141.0
[M]+ 191.03770 134.7
[M]- 191.03880 134.7
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.