CID 40151917

3-bromo-2-chloro-4-methyl-5-nitropyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
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 139.2
[M+Na]+ 272.90369 153.0
[M-H]- 248.90719 144.9
[M+NH4]+ 267.94829 159.4
[M+K]+ 288.87763 137.2
[M+H-H2O]+ 232.91173 144.0
[M+HCOO]- 294.91267 157.6
[M+CH3COO]- 308.92832 184.0
[M+Na-2H]- 270.88914 148.2
[M]+ 249.91392 159.5
[M]- 249.91502 159.5
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