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]+ 230.97637 138.9
[M+Na]+ 252.95831 150.8
[M-H]- 228.96181 144.5
[M+NH4]+ 248.00291 158.9
[M+K]+ 268.93225 136.6
[M+H-H2O]+ 212.96635 142.6
[M+HCOO]- 274.96729 161.4
[M+CH3COO]- 288.98294 182.2
[M+Na-2H]- 250.94376 148.5
[M]+ 229.96854 157.5
[M]- 229.96964 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.