CID 22109

2-bromo-4-nitrophenol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

460
Patents

216.93745 Da
Monoisotopic Mass

2.4
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

literature stripe

Patent stripe

patents stripe