CID 28808493

1018584-37-6

Structural Information

Molecular Formula
C11H8FNO3
SMILES
C1=CC(=CC=C1C2=CC(=NO2)CC(=O)O)F
InChI
InChI=1S/C11H8FNO3/c12-8-3-1-7(2-4-8)10-5-9(13-16-10)6-11(14)15/h1-5H,6H2,(H,14,15)
InChIKey
ZVHVHPPPJAWTRL-UHFFFAOYSA-N
Compound name
2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

221.04883 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.05611 147.0
[M+Na]+ 244.03805 159.1
[M+NH4]+ 239.08265 153.5
[M+K]+ 260.01199 155.9
[M-H]- 220.04155 148.7
[M+Na-2H]- 242.02350 152.7
[M]+ 221.04828 149.0
[M]- 221.04938 149.0
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

patents stripe