CID 82408679

2-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid

Structural Information

Molecular Formula
C5H2F3NO3
SMILES
C1=C(OC(=N1)C(F)(F)F)C(=O)O
InChI
InChI=1S/C5H2F3NO3/c6-5(7,8)4-9-1-2(12-4)3(10)11/h1H,(H,10,11)
InChIKey
BNPXXHOLEWFBSU-UHFFFAOYSA-N
Compound name
2-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.99867 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.00595 127.2
[M+Na]+ 203.98789 137.2
[M-H]- 179.99139 125.7
[M+NH4]+ 199.03249 145.6
[M+K]+ 219.96183 136.9
[M+H-H2O]+ 163.99593 119.7
[M+HCOO]- 225.99687 145.2
[M+CH3COO]- 240.01252 174.4
[M+Na-2H]- 201.97334 132.9
[M]+ 180.99812 124.8
[M]- 180.99922 124.8
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.