CID 2736290

2-bromo-4,6-difluorophenol

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

107
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

No literature data available for this compound.

Patent stripe

patents stripe