CID 165449871

5-(difluoromethyl)-3-phenyl-1,2-oxazole-4-carboxylic acid

Structural Information

Molecular Formula
C11H7F2NO3
SMILES
C1=CC=C(C=C1)C2=NOC(=C2C(=O)O)C(F)F
InChI
InChI=1S/C11H7F2NO3/c12-10(13)9-7(11(15)16)8(14-17-9)6-4-2-1-3-5-6/h1-5,10H,(H,15,16)
InChIKey
GPVNQAONOJRKNI-UHFFFAOYSA-N
Compound name
5-(difluoromethyl)-3-phenyl-1,2-oxazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.0394 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.04668 146.3
[M+Na]+ 262.02862 155.3
[M-H]- 238.03212 149.2
[M+NH4]+ 257.07322 162.1
[M+K]+ 278.00256 153.3
[M+H-H2O]+ 222.03666 137.7
[M+HCOO]- 284.03760 165.5
[M+CH3COO]- 298.05325 187.8
[M+Na-2H]- 260.01407 148.8
[M]+ 239.03885 145.3
[M]- 239.03995 145.3
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.