CID 2736292

4-bromo-2,6-difluorophenol

Structural Information

Molecular Formula
C6H3BrF2O
SMILES
C1=C(C=C(C(=C1F)O)F)Br
InChI
InChI=1S/C6H3BrF2O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H
InChIKey
GPRPSJPFAAGLCA-UHFFFAOYSA-N
Compound name
4-bromo-2,6-difluorophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

758
Patents

207.93353 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.94081 131.0
[M+Na]+ 230.92275 144.9
[M-H]- 206.92625 134.5
[M+NH4]+ 225.96735 153.4
[M+K]+ 246.89669 133.4
[M+H-H2O]+ 190.93079 130.5
[M+HCOO]- 252.93173 150.6
[M+CH3COO]- 266.94738 181.2
[M+Na-2H]- 228.90820 137.8
[M]+ 207.93298 146.7
[M]- 207.93408 146.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe