CID 135656076

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

Structural Information

Molecular Formula
C10H5BrF3NO2
SMILES
C1=CC(=C(C=C1Br)C2=CC(=NO2)C(F)(F)F)O
InChI
InChI=1S/C10H5BrF3NO2/c11-5-1-2-7(16)6(3-5)8-4-9(15-17-8)10(12,13)14/h1-4,16H
InChIKey
UBQSQNJMXJWLIJ-UHFFFAOYSA-N
Compound name
4-bromo-2-[3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.9456 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.952876 159.2
[M+Na]+ 329.934818 173.1
[M-H]- 305.938324 163.9
[M+NH4]+ 324.979423 176.8
[M+K]+ 345.908758 162.0
[M+H-H2O]+ 289.942860 156.9
[M+HCOO]- 351.943801 175.4
[M+CH3COO]- 365.959451 195.0
[M+Na-2H]- 327.920266 164.5
[M]+ 306.94505142 175.6
[M]- 306.94614858 175.6
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

No patent data available for this compound.