CID 118834587

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

Structural Information

Molecular Formula
C7H3BrF4O
SMILES
C1=C(C(=CC(=C1O)Br)F)C(F)(F)F
InChI
InChI=1S/C7H3BrF4O/c8-4-2-5(9)3(1-6(4)13)7(10,11)12/h1-2,13H
InChIKey
WVHQHQHVDXRAQS-UHFFFAOYSA-N
Compound name
2-bromo-4-fluoro-5-(trifluoromethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

257.93033 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.937606 144.9
[M+Na]+ 280.919548 159.0
[M-H]- 256.923054 146.0
[M+NH4]+ 275.964153 165.3
[M+K]+ 296.893488 146.7
[M+H-H2O]+ 240.927590 142.8
[M+HCOO]- 302.928531 160.6
[M+CH3COO]- 316.944181 189.1
[M+Na-2H]- 278.904996 150.3
[M]+ 257.92978142 157.9
[M]- 257.93087858 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

patents stripe