CID 71742098

1384265-64-8

Structural Information

Molecular Formula
C6H4F3NO3
SMILES
CC1=C(OC(=N1)C(F)(F)F)C(=O)O
InChI
InChI=1S/C6H4F3NO3/c1-2-3(4(11)12)13-5(10-2)6(7,8)9/h1H3,(H,11,12)
InChIKey
ABMDYGGRGUSDEN-UHFFFAOYSA-N
Compound name
4-methyl-2-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.01433 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.02161 143.6
[M+Na]+ 218.00355 150.9
[M+NH4]+ 213.04815 147.3
[M+K]+ 233.97749 150.2
[M-H]- 194.00705 138.8
[M+Na-2H]- 215.98900 144.3
[M]+ 195.01378 142.7
[M]- 195.01488 142.7
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

No patent data available for this compound.