CID 84767239

2-[2-(difluoromethyl)-1,3-oxazol-4-yl]acetic acid

Structural Information

Molecular Formula
C6H5F2NO3
SMILES
C1=C(N=C(O1)C(F)F)CC(=O)O
InChI
InChI=1S/C6H5F2NO3/c7-5(8)6-9-3(2-12-6)1-4(10)11/h2,5H,1H2,(H,10,11)
InChIKey
SCOMMIQPAWLNCV-UHFFFAOYSA-N
Compound name
2-[2-(difluoromethyl)-1,3-oxazol-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.02374 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.03102 136.5
[M+Na]+ 200.01296 144.7
[M+NH4]+ 195.05756 141.5
[M+K]+ 215.98690 143.7
[M-H]- 176.01646 133.6
[M+Na-2H]- 197.99841 138.2
[M]+ 177.02319 136.3
[M]- 177.02429 136.3
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.