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

44
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 135.2
[M+Na]+ 227.94308 137.9
[M+NH4]+ 222.98768 139.6
[M+K]+ 243.91702 138.3
[M-H]- 203.94658 134.8
[M+Na-2H]- 225.92853 137.9
[M]+ 204.95331 134.1
[M]- 204.95441 134.1
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