CID 91634057

5-(2-chloro-4-fluorophenyl)-1,2-oxazole-4-carboxylic acid

Structural Information

Molecular Formula
C10H5ClFNO3
SMILES
C1=CC(=C(C=C1F)Cl)C2=C(C=NO2)C(=O)O
InChI
InChI=1S/C10H5ClFNO3/c11-8-3-5(12)1-2-6(8)9-7(10(14)15)4-13-16-9/h1-4H,(H,14,15)
InChIKey
YPPVPQQVAPTUFH-UHFFFAOYSA-N
Compound name
5-(2-chloro-4-fluorophenyl)-1,2-oxazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.9942 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.00148 144.7
[M+Na]+ 263.98342 156.1
[M-H]- 239.98692 149.3
[M+NH4]+ 259.02802 161.8
[M+K]+ 279.95736 152.5
[M+H-H2O]+ 223.99146 138.1
[M+HCOO]- 285.99240 161.7
[M+CH3COO]- 300.00805 186.1
[M+Na-2H]- 261.96887 148.4
[M]+ 240.99365 147.6
[M]- 240.99475 147.6
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.