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]+ 231.96039 139.1
[M+Na]+ 253.94233 150.9
[M-H]- 229.94583 146.0
[M+NH4]+ 248.98693 160.2
[M+K]+ 269.91627 137.2
[M+H-H2O]+ 213.95037 143.3
[M+HCOO]- 275.95131 162.9
[M+CH3COO]- 289.96696 181.6
[M+Na-2H]- 251.92778 148.4
[M]+ 230.95256 158.5
[M]- 230.95366 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