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

87
Patents

230.03032 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.03760 142.1
[M+Na]+ 253.01954 152.9
[M-H]- 229.02304 142.6
[M+NH4]+ 248.06414 157.4
[M+K]+ 268.99348 150.3
[M+H-H2O]+ 213.02758 132.6
[M+HCOO]- 275.02852 159.5
[M+CH3COO]- 289.04417 184.0
[M+Na-2H]- 251.00499 148.1
[M]+ 230.02977 139.7
[M]- 230.03087 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