CID 11746490

4-bromo-2-methoxy-1-nitrobenzene

Structural Information

Molecular Formula
C7H6BrNO3
SMILES
COC1=C(C=CC(=C1)Br)[N+](=O)[O-]
InChI
InChI=1S/C7H6BrNO3/c1-12-7-4-5(8)2-3-6(7)9(10)11/h2-4H,1H3
InChIKey
DJKPQYBFSAJUBS-UHFFFAOYSA-N
Compound name
4-bromo-2-methoxy-1-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

344
Patents

230.95311 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.96039 140.7
[M+Na]+ 253.94233 145.0
[M+NH4]+ 248.98693 145.6
[M+K]+ 269.91627 147.4
[M-H]- 229.94583 142.3
[M+Na-2H]- 251.92778 144.2
[M]+ 230.95256 140.5
[M]- 230.95366 140.5
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

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