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

44
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 148.7
[M+Na]+ 280.01919 158.6
[M-H]- 256.02269 150.5
[M+NH4]+ 275.06379 164.0
[M+K]+ 295.99313 156.2
[M+H-H2O]+ 240.02723 139.9
[M+HCOO]- 302.02817 166.3
[M+CH3COO]- 316.04382 189.4
[M+Na-2H]- 278.00464 152.8
[M]+ 257.02942 146.7
[M]- 257.03052 146.7
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