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

437
Patents

207.93353 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.940806 131.0
[M+Na]+ 230.922748 144.9
[M-H]- 206.926254 134.5
[M+NH4]+ 225.967353 153.4
[M+K]+ 246.896688 133.4
[M+H-H2O]+ 190.930790 130.5
[M+HCOO]- 252.931731 150.6
[M+CH3COO]- 266.947381 181.2
[M+Na-2H]- 228.908196 137.8
[M]+ 207.93298142 146.7
[M]- 207.93407858 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