CID 124505193

2060063-59-2

Structural Information

Molecular Formula
C8H6F3NO3
SMILES
C1CC1C2=C(OC(=N2)C(F)(F)F)C(=O)O
InChI
InChI=1S/C8H6F3NO3/c9-8(10,11)7-12-4(3-1-2-3)5(15-7)6(13)14/h3H,1-2H2,(H,13,14)
InChIKey
PETWRRSDZLYKOG-UHFFFAOYSA-N
Compound name
4-cyclopropyl-2-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.02998 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.03726 155.1
[M+Na]+ 244.01920 162.6
[M+NH4]+ 239.06380 159.3
[M+K]+ 259.99314 163.1
[M-H]- 220.02270 157.8
[M+Na-2H]- 242.00465 158.3
[M]+ 221.02943 157.4
[M]- 221.03053 157.4
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.