CID 119002648

2-bromo-5-ethyl-4-nitropyridine

Structural Information

Molecular Formula
C7H7BrN2O2
SMILES
CCC1=CN=C(C=C1[N+](=O)[O-])Br
InChI
InChI=1S/C7H7BrN2O2/c1-2-5-4-9-7(8)3-6(5)10(11)12/h3-4H,2H2,1H3
InChIKey
DTXXTSMOFSXVDM-UHFFFAOYSA-N
Compound name
2-bromo-5-ethyl-4-nitropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.96909 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.976366 138.9
[M+Na]+ 252.958308 150.8
[M-H]- 228.961814 144.5
[M+NH4]+ 248.002913 158.9
[M+K]+ 268.932248 136.6
[M+H-H2O]+ 212.966350 142.6
[M+HCOO]- 274.967291 161.4
[M+CH3COO]- 288.982941 182.2
[M+Na-2H]- 250.943756 148.5
[M]+ 229.96854142 157.5
[M]- 229.96963858 157.5
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

No patent data available for this compound.