CID 134209294

2178052-55-4

Structural Information

Molecular Formula
C10H4F3NO3
SMILES
C1=C(C=C(C(=C1F)C2=CC(=NO2)C(=O)O)F)F
InChI
InChI=1S/C10H4F3NO3/c11-4-1-5(12)9(6(13)2-4)8-3-7(10(15)16)14-17-8/h1-3H,(H,15,16)
InChIKey
MVRMOOSVRYQSSD-UHFFFAOYSA-N
Compound name
5-(2,4,6-trifluorophenyl)-1,2-oxazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

243.01433 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.02161 143.6
[M+Na]+ 266.00355 155.2
[M-H]- 242.00705 145.9
[M+NH4]+ 261.04815 159.9
[M+K]+ 281.97749 152.5
[M+H-H2O]+ 226.01159 134.7
[M+HCOO]- 288.01253 163.0
[M+CH3COO]- 302.02818 189.1
[M+Na-2H]- 263.98900 145.9
[M]+ 243.01378 142.6
[M]- 243.01488 142.6
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