CID 58374094

1236188-80-9

Structural Information

Molecular Formula
C11H6F3NO3
SMILES
C1=CC=C(C=C1)C2=NOC(=C2C(F)(F)F)C(=O)O
InChI
InChI=1S/C11H6F3NO3/c12-11(13,14)7-8(6-4-2-1-3-5-6)15-18-9(7)10(16)17/h1-5H,(H,16,17)
InChIKey
PIHCIOFNZMVVOL-UHFFFAOYSA-N
Compound name
3-phenyl-4-(trifluoromethyl)-1,2-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

257.02997 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.03725 158.0
[M+Na]+ 280.01919 167.0
[M+NH4]+ 275.06379 162.1
[M+K]+ 295.99313 164.9
[M-H]- 256.02269 155.7
[M+Na-2H]- 278.00464 161.4
[M]+ 257.02942 158.2
[M]- 257.03052 158.2
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

patents stripe