CID 3061219

Brn 4521074

Structural Information

Molecular Formula
C18H14FNO3
SMILES
COC(=O)CC1=CC=C(C=C1)C2=NOC(=C2)C3=CC=C(C=C3)F
InChI
InChI=1S/C18H14FNO3/c1-22-18(21)10-12-2-4-13(5-3-12)16-11-17(23-20-16)14-6-8-15(19)9-7-14/h2-9,11H,10H2,1H3
InChIKey
AQFYTHVMIFYVAF-UHFFFAOYSA-N
Compound name
methyl 2-[4-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]phenyl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.09576 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.103036 170.2
[M+Na]+ 334.084978 179.1
[M-H]- 310.088484 178.7
[M+NH4]+ 329.129583 183.7
[M+K]+ 350.058918 175.8
[M+H-H2O]+ 294.093020 160.5
[M+HCOO]- 356.093961 191.8
[M+CH3COO]- 370.109611 204.1
[M+Na-2H]- 332.070426 172.5
[M]+ 311.09521142 172.9
[M]- 311.09630858 172.9
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.