CID 10219942

4-bromo-2,3-difluorophenol

Structural Information

Molecular Formula
C6H3BrF2O
SMILES
C1=CC(=C(C(=C1O)F)F)Br
InChI
InChI=1S/C6H3BrF2O/c7-3-1-2-4(10)6(9)5(3)8/h1-2,10H
InChIKey
JZAVCMMYGSROJP-UHFFFAOYSA-N
Compound name
4-bromo-2,3-difluorophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

414
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 138.2
[M+Na]+ 230.92275 141.4
[M+NH4]+ 225.96735 142.4
[M+K]+ 246.89669 141.1
[M-H]- 206.92625 136.4
[M+Na-2H]- 228.90820 140.7
[M]+ 207.93298 136.9
[M]- 207.93408 136.9
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

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