CID 131212654

5-bromo-3-fluoro-2-(trifluoromethoxy)phenol

Structural Information

Molecular Formula
C7H3BrF4O2
SMILES
C1=C(C=C(C(=C1O)OC(F)(F)F)F)Br
InChI
InChI=1S/C7H3BrF4O2/c8-3-1-4(9)6(5(13)2-3)14-7(10,11)12/h1-2,13H
InChIKey
NWKOBFSHPWBBMM-UHFFFAOYSA-N
Compound name
5-bromo-3-fluoro-2-(trifluoromethoxy)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.92526 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.93254 147.7
[M+Na]+ 296.91448 161.6
[M-H]- 272.91798 148.7
[M+NH4]+ 291.95908 167.4
[M+K]+ 312.88842 149.8
[M+H-H2O]+ 256.92252 145.3
[M+HCOO]- 318.92346 163.6
[M+CH3COO]- 332.93911 191.0
[M+Na-2H]- 294.89993 153.1
[M]+ 273.92471 162.1
[M]- 273.92581 162.1
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.