CID 15645664

5-bromo-2-methoxy-3-nitropyridine

Structural Information

Molecular Formula
C6H5BrN2O3
SMILES
COC1=C(C=C(C=N1)Br)[N+](=O)[O-]
InChI
InChI=1S/C6H5BrN2O3/c1-12-6-5(9(10)11)2-4(7)3-8-6/h2-3H,1H3
InChIKey
YRVHFGOAEVWBNS-UHFFFAOYSA-N
Compound name
5-bromo-2-methoxy-3-nitropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

272
Patents

231.94835 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.955626 136.7
[M+Na]+ 254.937568 148.8
[M-H]- 230.941074 142.4
[M+NH4]+ 249.982173 156.5
[M+K]+ 270.911508 135.3
[M+H-H2O]+ 214.945610 140.3
[M+HCOO]- 276.946551 159.7
[M+CH3COO]- 290.962201 181.2
[M+Na-2H]- 252.923016 147.0
[M]+ 231.94780142 156.2
[M]- 231.94889858 156.2
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