CID 29919369

3-bromo-2-chloro-6-methyl-5-nitropyridine

Structural Information

Molecular Formula
C6H4BrClN2O2
SMILES
CC1=NC(=C(C=C1[N+](=O)[O-])Br)Cl
InChI
InChI=1S/C6H4BrClN2O2/c1-3-5(10(11)12)2-4(7)6(8)9-3/h2H,1H3
InChIKey
WKGHUAZJNBXABN-UHFFFAOYSA-N
Compound name
3-bromo-2-chloro-6-methyl-5-nitropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

577
Patents

249.91447 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.92175 143.1
[M+Na]+ 272.90369 148.8
[M+NH4]+ 267.94829 148.1
[M+K]+ 288.87763 150.5
[M-H]- 248.90719 144.5
[M+Na-2H]- 270.88914 146.6
[M]+ 249.91392 143.4
[M]- 249.91502 143.4
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