CID 2762898

3-bromo-5-nitropyridine

Structural Information

Molecular Formula
C5H3BrN2O2
SMILES
C1=C(C=NC=C1Br)[N+](=O)[O-]
InChI
InChI=1S/C5H3BrN2O2/c6-4-1-5(8(9)10)3-7-2-4/h1-3H
InChIKey
WHYJVHQKKJHXTB-UHFFFAOYSA-N
Compound name
3-bromo-5-nitropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

260
Patents

201.93779 Da
Monoisotopic Mass

1.4
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

literature stripe

Patent stripe

patents stripe