CID 3041369

1,3,4-oxadiazole-2-methanol, 5-(3-(trifluoromethyl)phenyl)-

Structural Information

Molecular Formula
C10H7F3N2O2
SMILES
C1=CC(=CC(=C1)C(F)(F)F)C2=NN=C(O2)CO
InChI
InChI=1S/C10H7F3N2O2/c11-10(12,13)7-3-1-2-6(4-7)9-15-14-8(5-16)17-9/h1-4,16H,5H2
InChIKey
WVZAXMITXMBMDG-UHFFFAOYSA-N
Compound name
[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.04596 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.05324 146.9
[M+Na]+ 267.03518 157.2
[M-H]- 243.03868 147.2
[M+NH4]+ 262.07978 161.5
[M+K]+ 283.00912 154.3
[M+H-H2O]+ 227.04322 137.1
[M+HCOO]- 289.04416 163.9
[M+CH3COO]- 303.05981 187.0
[M+Na-2H]- 265.02063 152.3
[M]+ 244.04541 144.8
[M]- 244.04651 144.8
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.