CID 740239

Methyl 4-{(z)-[2-(4-fluorophenyl)-5-oxo-1,3-oxazol-4(5h)-ylidene]methyl}benzoate

Structural Information

Molecular Formula
C18H12FNO4
SMILES
COC(=O)C1=CC=C(C=C1)/C=C\2/C(=O)OC(=N2)C3=CC=C(C=C3)F
InChI
InChI=1S/C18H12FNO4/c1-23-17(21)13-4-2-11(3-5-13)10-15-18(22)24-16(20-15)12-6-8-14(19)9-7-12/h2-10H,1H3/b15-10-
InChIKey
VRBPKKJIKDIQST-GDNBJRDFSA-N
Compound name
methyl 4-[(Z)-[2-(4-fluorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

325.07504 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.08232 172.3
[M+Na]+ 348.06426 181.6
[M-H]- 324.06776 180.9
[M+NH4]+ 343.10886 185.3
[M+K]+ 364.03820 178.0
[M+H-H2O]+ 308.07230 162.8
[M+HCOO]- 370.07324 193.1
[M+CH3COO]- 384.08889 205.7
[M+Na-2H]- 346.04971 173.0
[M]+ 325.07449 174.0
[M]- 325.07559 174.0
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

No patent data available for this compound.