CID 230889

3-bromo-2-chloro-5-nitropyridine

Structural Information

Molecular Formula
C5H2BrClN2O2
SMILES
C1=C(C=NC(=C1Br)Cl)[N+](=O)[O-]
InChI
InChI=1S/C5H2BrClN2O2/c6-4-1-3(9(10)11)2-8-5(4)7/h1-2H
InChIKey
PTTQIUHVDDBART-UHFFFAOYSA-N
Compound name
3-bromo-2-chloro-5-nitropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

524
Patents

235.89882 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.90610 134.8
[M+Na]+ 258.88804 148.2
[M-H]- 234.89154 140.4
[M+NH4]+ 253.93264 155.4
[M+K]+ 274.86198 132.7
[M+H-H2O]+ 218.89608 139.8
[M+HCOO]- 280.89702 153.6
[M+CH3COO]- 294.91267 180.1
[M+Na-2H]- 256.87349 145.1
[M]+ 235.89827 154.5
[M]- 235.89937 154.5
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