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]+ 232.95563 137.9
[M+Na]+ 254.93757 149.3
[M-H]- 230.94107 143.1
[M+NH4]+ 249.98217 157.6
[M+K]+ 270.91151 134.1
[M+H-H2O]+ 214.94561 141.4
[M+HCOO]- 276.94655 160.7
[M+CH3COO]- 290.96220 180.9
[M+Na-2H]- 252.92302 145.8
[M]+ 231.94780 153.6
[M]- 231.94890 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.