CID 135516666

153168-59-3

Structural Information

Molecular Formula
C11H9F3N2O2
SMILES
CC1=CC(=CC(=C1O)C)C2=NOC(=N2)C(F)(F)F
InChI
InChI=1S/C11H9F3N2O2/c1-5-3-7(4-6(2)8(5)17)9-15-10(18-16-9)11(12,13)14/h3-4,17H,1-2H3
InChIKey
ITUYVBZOLSFUNQ-UHFFFAOYSA-N
Compound name
2,6-dimethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

258.0616 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.068876 151.9
[M+Na]+ 281.050818 163.7
[M-H]- 257.054324 153.0
[M+NH4]+ 276.095423 166.7
[M+K]+ 297.024758 160.6
[M+H-H2O]+ 241.058860 142.6
[M+HCOO]- 303.059801 168.7
[M+CH3COO]- 317.075451 192.4
[M+Na-2H]- 279.036266 155.4
[M]+ 258.06105142 151.0
[M]- 258.06214858 151.0
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