CID 12966745

2-bromo-4-methoxy-1-nitrobenzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

114
Patents

230.95311 Da
Monoisotopic Mass

2.5
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

No literature data available for this compound.

Patent stripe

patents stripe