CID 22831710

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

Structural Information

Molecular Formula
C10H6FNO3
SMILES
C1=CC=C(C(=C1)C2=C(C=NO2)C(=O)O)F
InChI
InChI=1S/C10H6FNO3/c11-8-4-2-1-3-6(8)9-7(10(13)14)5-12-15-9/h1-5H,(H,13,14)
InChIKey
ZYGWUDJUJQNWHC-UHFFFAOYSA-N
Compound name
5-(2-fluorophenyl)-1,2-oxazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

207.03317 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.040446 138.6
[M+Na]+ 230.022388 148.3
[M-H]- 206.025894 143.0
[M+NH4]+ 225.066993 156.0
[M+K]+ 245.996328 146.6
[M+H-H2O]+ 190.030430 131.2
[M+HCOO]- 252.031371 160.3
[M+CH3COO]- 266.047021 181.1
[M+Na-2H]- 228.007836 143.5
[M]+ 207.03262142 139.1
[M]- 207.03371858 139.1
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