CID 84778901

2-amino-4-bromo-3-fluorophenol

Structural Information

Molecular Formula
C6H5BrFNO
SMILES
C1=CC(=C(C(=C1O)N)F)Br
InChI
InChI=1S/C6H5BrFNO/c7-3-1-2-4(10)6(9)5(3)8/h1-2,10H,9H2
InChIKey
OADUHRSZWRRMSC-UHFFFAOYSA-N
Compound name
2-amino-4-bromo-3-fluorophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

204.95386 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.96114 132.4
[M+Na]+ 227.94308 145.3
[M-H]- 203.94658 136.5
[M+NH4]+ 222.98768 154.2
[M+K]+ 243.91702 133.4
[M+H-H2O]+ 187.95112 131.8
[M+HCOO]- 249.95206 153.2
[M+CH3COO]- 263.96771 182.6
[M+Na-2H]- 225.92853 138.9
[M]+ 204.95331 147.5
[M]- 204.95441 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