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

119
Patents

230.95311 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.960386 139.1
[M+Na]+ 253.942328 150.9
[M-H]- 229.945834 146.0
[M+NH4]+ 248.986933 160.2
[M+K]+ 269.916268 137.2
[M+H-H2O]+ 213.950370 143.3
[M+HCOO]- 275.951311 162.9
[M+CH3COO]- 289.966961 181.6
[M+Na-2H]- 251.927776 148.4
[M]+ 230.95256142 158.5
[M]- 230.95365858 158.5
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