CID 75525763

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

Structural Information

Molecular Formula
C11H7F2NO3
SMILES
C1=CC=C(C=C1)C2=NC(=C(O2)C(=O)O)C(F)F
InChI
InChI=1S/C11H7F2NO3/c12-9(13)7-8(11(15)16)17-10(14-7)6-4-2-1-3-5-6/h1-5,9H,(H,15,16)
InChIKey
YXECJUUYOZSIPM-UHFFFAOYSA-N
Compound name
4-(difluoromethyl)-2-phenyl-1,3-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.0394 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.04668 152.2
[M+Na]+ 262.02862 162.6
[M+NH4]+ 257.07322 157.6
[M+K]+ 278.00256 160.2
[M-H]- 238.03212 152.0
[M+Na-2H]- 260.01407 156.5
[M]+ 239.03885 153.2
[M]- 239.03995 153.2
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.