CID 124505193

4-cyclopropyl-2-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid

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 136.0
[M+Na]+ 244.01920 147.2
[M-H]- 220.02270 138.5
[M+NH4]+ 239.06380 148.2
[M+K]+ 259.99314 144.5
[M+H-H2O]+ 204.02724 127.7
[M+HCOO]- 266.02818 153.2
[M+CH3COO]- 280.04383 186.4
[M+Na-2H]- 242.00465 140.1
[M]+ 221.02943 136.5
[M]- 221.03053 136.5
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.