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

31
Patents

258.0616 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.06888 151.9
[M+Na]+ 281.05082 163.7
[M-H]- 257.05432 153.0
[M+NH4]+ 276.09542 166.7
[M+K]+ 297.02476 160.6
[M+H-H2O]+ 241.05886 142.6
[M+HCOO]- 303.05980 168.7
[M+CH3COO]- 317.07545 192.4
[M+Na-2H]- 279.03627 155.4
[M]+ 258.06105 151.0
[M]- 258.06215 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