CID 135750113

4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenol

Structural Information

Molecular Formula
C9H5F3N2O2
SMILES
C1=CC(=CC=C1C2=NOC(=N2)C(F)(F)F)O
InChI
InChI=1S/C9H5F3N2O2/c10-9(11,12)8-13-7(14-16-8)5-1-3-6(15)4-2-5/h1-4,15H
InChIKey
DHTGEEMLNWMWLC-UHFFFAOYSA-N
Compound name
4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

230.03032 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.037596 142.1
[M+Na]+ 253.019538 152.9
[M-H]- 229.023044 142.6
[M+NH4]+ 248.064143 157.4
[M+K]+ 268.993478 150.3
[M+H-H2O]+ 213.027580 132.6
[M+HCOO]- 275.028521 159.5
[M+CH3COO]- 289.044171 184.0
[M+Na-2H]- 251.004986 148.1
[M]+ 230.02977142 139.7
[M]- 230.03086858 139.7
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

patents stripe