CID 135429332

4-bromo-2-[5-[3-(trifluoromethyl)-2-pyridyl]isoxazol-3-yl]phenol

Structural Information

Molecular Formula
C15H8BrF3N2O2
SMILES
C1=CC(=C(N=C1)C2=CC(=NO2)C3=C(C=CC(=C3)Br)O)C(F)(F)F
InChI
InChI=1S/C15H8BrF3N2O2/c16-8-3-4-12(22)9(6-8)11-7-13(23-21-11)14-10(15(17,18)19)2-1-5-20-14/h1-7,22H
InChIKey
ISXWWNYZKRLXRC-UHFFFAOYSA-N
Compound name
4-bromo-2-[5-[3-(trifluoromethyl)pyridin-2-yl]-1,2-oxazol-3-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

383.9721 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.97938 180.5
[M+Na]+ 406.96132 194.0
[M-H]- 382.96482 186.9
[M+NH4]+ 402.00592 193.5
[M+K]+ 422.93526 181.8
[M+H-H2O]+ 366.96936 176.5
[M+HCOO]- 428.97030 195.0
[M+CH3COO]- 442.98595 192.7
[M+Na-2H]- 404.94677 184.3
[M]+ 383.97155 197.2
[M]- 383.97265 197.2
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