CID 53216221

5-amino-2-bromo-4-nitrophenol

Structural Information

Molecular Formula
C6H5BrN2O3
SMILES
C1=C(C(=CC(=C1O)Br)[N+](=O)[O-])N
InChI
InChI=1S/C6H5BrN2O3/c7-3-1-5(9(11)12)4(8)2-6(3)10/h1-2,10H,8H2
InChIKey
IZFUAQAHNPUZGL-UHFFFAOYSA-N
Compound name
5-amino-2-bromo-4-nitrophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.94835 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.955626 137.9
[M+Na]+ 254.937568 149.3
[M-H]- 230.941074 143.1
[M+NH4]+ 249.982173 157.6
[M+K]+ 270.911508 134.1
[M+H-H2O]+ 214.945610 141.4
[M+HCOO]- 276.946551 160.7
[M+CH3COO]- 290.962201 180.9
[M+Na-2H]- 252.923016 145.8
[M]+ 231.94780142 153.6
[M]- 231.94889858 153.6
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

No patent data available for this compound.