CID 8167254

2-bromo-3-nitrophenol

Structural Information

Molecular Formula
C6H4BrNO3
SMILES
C1=CC(=C(C(=C1)O)Br)[N+](=O)[O-]
InChI
InChI=1S/C6H4BrNO3/c7-6-4(8(10)11)2-1-3-5(6)9/h1-3,9H
InChIKey
HRVRWIBVVHOHNN-UHFFFAOYSA-N
Compound name
2-bromo-3-nitrophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

225
Patents

216.93745 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.944726 134.7
[M+Na]+ 239.926668 146.4
[M-H]- 215.930174 140.4
[M+NH4]+ 234.971273 155.6
[M+K]+ 255.900608 132.0
[M+H-H2O]+ 199.934710 139.2
[M+HCOO]- 261.935651 157.4
[M+CH3COO]- 275.951301 176.1
[M+Na-2H]- 237.912116 144.0
[M]+ 216.93690142 152.0
[M]- 216.93799858 152.0
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