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

10
Patents

213.04015 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.04743 138.5
[M+Na]+ 236.02937 148.6
[M-H]- 212.03287 141.3
[M+NH4]+ 231.07397 156.4
[M+K]+ 252.00331 146.3
[M+H-H2O]+ 196.03741 129.5
[M+HCOO]- 258.03835 158.3
[M+CH3COO]- 272.05400 183.6
[M+Na-2H]- 234.01482 145.3
[M]+ 213.03960 136.0
[M]- 213.04070 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