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]+ 312.10304 170.2
[M+Na]+ 334.08498 179.1
[M-H]- 310.08848 178.7
[M+NH4]+ 329.12958 183.7
[M+K]+ 350.05892 175.8
[M+H-H2O]+ 294.09302 160.5
[M+HCOO]- 356.09396 191.8
[M+CH3COO]- 370.10961 204.1
[M+Na-2H]- 332.07043 172.5
[M]+ 311.09521 172.9
[M]- 311.09631 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.