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 130.1
[M+Na]+ 200.01296 138.9
[M-H]- 176.01646 129.5
[M+NH4]+ 195.05756 148.5
[M+K]+ 215.98690 138.8
[M+H-H2O]+ 160.02100 122.7
[M+HCOO]- 222.02194 149.3
[M+CH3COO]- 236.03759 175.8
[M+Na-2H]- 197.99841 133.7
[M]+ 177.02319 129.2
[M]- 177.02429 129.2
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

No patent data available for this compound.