CID 1415846

2-bromo-6-nitropyridine

Structural Information

Molecular Formula
C5H3BrN2O2
SMILES
C1=CC(=NC(=C1)Br)[N+](=O)[O-]
InChI
InChI=1S/C5H3BrN2O2/c6-4-2-1-3-5(7-4)8(9)10/h1-3H
InChIKey
JULQLOHNPMMKTH-UHFFFAOYSA-N
Compound name
2-bromo-6-nitropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

114
Patents

201.93779 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.945066 129.7
[M+Na]+ 224.927008 141.7
[M-H]- 200.930514 135.4
[M+NH4]+ 219.971613 150.6
[M+K]+ 240.900948 128.0
[M+H-H2O]+ 184.935050 133.7
[M+HCOO]- 246.935991 153.0
[M+CH3COO]- 260.951641 175.4
[M+Na-2H]- 222.912456 141.1
[M]+ 201.93724142 147.4
[M]- 201.93833858 147.4
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