CID 17750742

2-bromo-5-(trifluoromethoxy)phenol

Structural Information

Molecular Formula
C7H4BrF3O2
SMILES
C1=CC(=C(C=C1OC(F)(F)F)O)Br
InChI
InChI=1S/C7H4BrF3O2/c8-5-2-1-4(3-6(5)12)13-7(9,10)11/h1-3,12H
InChIKey
RHRRKORKKIVAGJ-UHFFFAOYSA-N
Compound name
2-bromo-5-(trifluoromethoxy)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

100
Patents

255.93468 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.94196 144.4
[M+Na]+ 278.92390 157.4
[M-H]- 254.92740 146.3
[M+NH4]+ 273.96850 164.6
[M+K]+ 294.89784 146.1
[M+H-H2O]+ 238.93194 142.8
[M+HCOO]- 300.93288 161.4
[M+CH3COO]- 314.94853 187.2
[M+Na-2H]- 276.90935 151.1
[M]+ 255.93413 159.7
[M]- 255.93523 159.7
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