CID 78240

2-bromo-5-nitropyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2049
Patents

201.93779 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.94507 129.7
[M+Na]+ 224.92701 141.7
[M-H]- 200.93051 135.4
[M+NH4]+ 219.97161 150.6
[M+K]+ 240.90095 128.0
[M+H-H2O]+ 184.93505 133.7
[M+HCOO]- 246.93599 153.0
[M+CH3COO]- 260.95164 175.4
[M+Na-2H]- 222.91246 141.1
[M]+ 201.93724 147.4
[M]- 201.93834 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