CID 115084383

1890103-39-5

Structural Information

Molecular Formula
C11H8F3NO2
SMILES
C1=CC=C(C(=C1)C2=NC(=CO2)CO)C(F)(F)F
InChI
InChI=1S/C11H8F3NO2/c12-11(13,14)9-4-2-1-3-8(9)10-15-7(5-16)6-17-10/h1-4,6,16H,5H2
InChIKey
PEDNWMNUXMOUON-UHFFFAOYSA-N
Compound name
[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.05072 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.05800 146.9
[M+Na]+ 266.03994 156.8
[M-H]- 242.04344 148.5
[M+NH4]+ 261.08454 163.0
[M+K]+ 282.01388 153.9
[M+H-H2O]+ 226.04798 138.0
[M+HCOO]- 288.04892 165.0
[M+CH3COO]- 302.06457 187.2
[M+Na-2H]- 264.02539 152.0
[M]+ 243.05017 144.7
[M]- 243.05127 144.7
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.