CID 118839474

5-bromo-4-fluoro-2-(trifluoromethyl)phenol

Structural Information

Molecular Formula
C7H3BrF4O
SMILES
C1=C(C(=CC(=C1F)Br)O)C(F)(F)F
InChI
InChI=1S/C7H3BrF4O/c8-4-2-6(13)3(1-5(4)9)7(10,11)12/h1-2,13H
InChIKey
AELRWNJBJBKNMA-UHFFFAOYSA-N
Compound name
5-bromo-4-fluoro-2-(trifluoromethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.93033 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.93761 144.9
[M+Na]+ 280.91955 159.0
[M-H]- 256.92305 146.0
[M+NH4]+ 275.96415 165.3
[M+K]+ 296.89349 146.7
[M+H-H2O]+ 240.92759 142.8
[M+HCOO]- 302.92853 160.6
[M+CH3COO]- 316.94418 189.1
[M+Na-2H]- 278.90500 150.3
[M]+ 257.92978 157.9
[M]- 257.93088 157.9
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.