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 143.4
[M+Na]+ 244.03805 152.7
[M-H]- 220.04155 147.6
[M+NH4]+ 239.08265 160.2
[M+K]+ 260.01199 150.7
[M+H-H2O]+ 204.04609 135.8
[M+HCOO]- 266.04703 164.7
[M+CH3COO]- 280.06268 184.1
[M+Na-2H]- 242.02350 147.7
[M]+ 221.04828 144.2
[M]- 221.04938 144.2
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