CID 2777664

175205-48-8

Structural Information

Molecular Formula
C10H6F3NO
SMILES
C1=CC(=CC(=C1)C(F)(F)F)C2=CN=CO2
InChI
InChI=1S/C10H6F3NO/c11-10(12,13)8-3-1-2-7(4-8)9-5-14-6-15-9/h1-6H
InChIKey
VZPSLWXHNGQMCO-UHFFFAOYSA-N
Compound name
5-[3-(trifluoromethyl)phenyl]-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

213.04015 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.047426 138.5
[M+Na]+ 236.029368 148.6
[M-H]- 212.032874 141.3
[M+NH4]+ 231.073973 156.4
[M+K]+ 252.003308 146.3
[M+H-H2O]+ 196.037410 129.5
[M+HCOO]- 258.038351 158.3
[M+CH3COO]- 272.054001 183.6
[M+Na-2H]- 234.014816 145.3
[M]+ 213.03960142 136.0
[M]- 213.04069858 136.0
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