CID 10610778

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

Structural Information

Molecular Formula
C6H4BrClN2O2
SMILES
CC1=C(C=C(C(=N1)Cl)[N+](=O)[O-])Br
InChI
InChI=1S/C6H4BrClN2O2/c1-3-4(7)2-5(10(11)12)6(8)9-3/h2H,1H3
InChIKey
PVECCSKVOZZRPC-UHFFFAOYSA-N
Compound name
5-bromo-2-chloro-6-methyl-3-nitropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

249.91447 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.921746 139.2
[M+Na]+ 272.903688 153.0
[M-H]- 248.907194 144.9
[M+NH4]+ 267.948293 159.4
[M+K]+ 288.877628 137.2
[M+H-H2O]+ 232.911730 144.0
[M+HCOO]- 294.912671 157.6
[M+CH3COO]- 308.928321 184.0
[M+Na-2H]- 270.889136 148.2
[M]+ 249.91392142 159.5
[M]- 249.91501858 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