CID 124250994

4-(difluoromethyl)-1,3-oxazole-5-carboxylic acid

Structural Information

Molecular Formula
C5H3F2NO3
SMILES
C1=NC(=C(O1)C(=O)O)C(F)F
InChI
InChI=1S/C5H3F2NO3/c6-4(7)2-3(5(9)10)11-1-8-2/h1,4H,(H,9,10)
InChIKey
GHVXGPSXLSMPMA-UHFFFAOYSA-N
Compound name
4-(difluoromethyl)-1,3-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

163.0081 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.01538 125.2
[M+Na]+ 185.99732 134.5
[M-H]- 162.00082 124.8
[M+NH4]+ 181.04192 144.2
[M+K]+ 201.97126 134.7
[M+H-H2O]+ 146.00536 118.0
[M+HCOO]- 208.00630 144.9
[M+CH3COO]- 222.02195 172.8
[M+Na-2H]- 183.98277 129.4
[M]+ 163.00755 124.0
[M]- 163.00865 124.0
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