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]+ 307.95288 159.2
[M+Na]+ 329.93482 173.1
[M-H]- 305.93832 163.9
[M+NH4]+ 324.97942 176.8
[M+K]+ 345.90876 162.0
[M+H-H2O]+ 289.94286 156.9
[M+HCOO]- 351.94380 175.4
[M+CH3COO]- 365.95945 195.0
[M+Na-2H]- 327.92027 164.5
[M]+ 306.94505 175.6
[M]- 306.94615 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.