CID 112756546

Methyl 2-(trifluoromethyl)-1,3-oxazole-5-carboxylate

Structural Information

Molecular Formula
C6H4F3NO3
SMILES
COC(=O)C1=CN=C(O1)C(F)(F)F
InChI
InChI=1S/C6H4F3NO3/c1-12-4(11)3-2-10-5(13-3)6(7,8)9/h2H,1H3
InChIKey
MABXXVJGKJMSSA-UHFFFAOYSA-N
Compound name
methyl 2-(trifluoromethyl)-1,3-oxazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

195.01433 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.02161 131.5
[M+Na]+ 218.00355 141.7
[M-H]- 194.00705 131.3
[M+NH4]+ 213.04815 150.2
[M+K]+ 233.97749 142.1
[M+H-H2O]+ 178.01159 123.7
[M+HCOO]- 240.01253 150.7
[M+CH3COO]- 254.02818 179.4
[M+Na-2H]- 215.98900 137.2
[M]+ 195.01378 131.3
[M]- 195.01488 131.3
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