CID 12867136

2-bromo-5-nitrophenol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

418
Patents

216.93745 Da
Monoisotopic Mass

2.7
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

No literature data available for this compound.

Patent stripe

patents stripe