CID 15817867

4-bromo-3-nitrophenol

Structural Information

Molecular Formula
C6H4BrNO3
SMILES
C1=CC(=C(C=C1O)[N+](=O)[O-])Br
InChI
InChI=1S/C6H4BrNO3/c7-5-2-1-4(9)3-6(5)8(10)11/h1-3,9H
InChIKey
MTNZLOXGKDQNKA-UHFFFAOYSA-N
Compound name
4-bromo-3-nitrophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

237
Patents

216.93745 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.94473 136.9
[M+Na]+ 239.92667 140.9
[M+NH4]+ 234.97127 141.6
[M+K]+ 255.90061 143.8
[M-H]- 215.93017 138.2
[M+Na-2H]- 237.91212 140.1
[M]+ 216.93690 136.6
[M]- 216.93800 136.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe