CID 2737639

2-amino-6-bromo-4-fluorophenol

Structural Information

Molecular Formula
C6H5BrFNO
SMILES
C1=C(C=C(C(=C1N)O)Br)F
InChI
InChI=1S/C6H5BrFNO/c7-4-1-3(8)2-5(9)6(4)10/h1-2,10H,9H2
InChIKey
YPSXHYMXEAXEAD-UHFFFAOYSA-N
Compound name
2-amino-6-bromo-4-fluorophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

204.95386 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.961136 132.4
[M+Na]+ 227.943078 145.3
[M-H]- 203.946584 136.5
[M+NH4]+ 222.987683 154.2
[M+K]+ 243.917018 133.4
[M+H-H2O]+ 187.951120 131.8
[M+HCOO]- 249.952061 153.2
[M+CH3COO]- 263.967711 182.6
[M+Na-2H]- 225.928526 138.9
[M]+ 204.95331142 147.5
[M]- 204.95440858 147.5
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